Geometry & MOs

Info

ID:	312352
PubChem CID:	126604381
Reduced:	ON7C22H33 (1)
Stoich.:	AB7C22D33 (1)
Weight, g/mol:	805.37205
ΔH_f, kcal/mol:	-10.06
Dipole, Da:	1.64
IP(EA), eV:	-8.36(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,20R,24R,28S,34Z,36S,41S)-N-cyclopropylsulfonyl-9-methoxy-26,40,42-trioxo-4,25-dioxa-1,6,13,27-tetrazaheptacyclo[26.13.1.13,41.05,14.07,12.020,24.036,38]tritetraconta-5,7(12),8,10,13,34-hexaene-38-carboxamide

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

CCC[C@@H]([C@@H](C)O)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CN=C(C=C3C)C

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

CCC[C@@H]([C@@H](C)O)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CN=C(C=C3C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):