Geometry & MOs

Info

ID:	316103
PubChem CID:	126630081
Reduced:	N5O5C34H43 (1)
Stoich.:	A5B5C34D43 (1)
Weight, g/mol:	614.33921
ΔH_f, kcal/mol:	-178.94
Dipole, Da:	9.47
IP(EA), eV:	-9.09(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S,11S,14S,22E)-19,19-difluoro-16-hydroxy-2,11-dimethyl-14-propan-2-yl-3,9,12,15,30,33-hexazatetracyclo[22.5.3.15,9.027,31]tritriaconta-1(30),22,24(32),25,27(31),28-hexaene-4,10,13-trione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC1=CC2=CC(=NC=C2C=C1)C3=CC(=CC=C3)C(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N4CCCC(N4)C(=O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC1=CC2=CC(=NC=C2C=C1)C3=CC(=CC=C3)C(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N4CCCC(N4)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):