Geometry & MOs

Info

ID:	141688
PubChem CID:	52916867
Reduced:	F3O3N4C25H25 (1)
Stoich.:	A3B3C4D25E25 (1)
Weight, g/mol:	826.35354
ΔH_f, kcal/mol:	-230.07
Dipole, Da:	3.32
IP(EA), eV:	-8.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,25S,31E,33S,35R)-N-cyclopropylsulfonyl-15,15-difluoro-23,37,40-trioxospiro[4,22-dioxa-1,6,13,24,36-pentazahexacyclo[23.14.1.03,38.05,14.07,12.033,35]tetraconta-5,7,9,11,13,31-hexaene-20,1'-cyclopentane]-35-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

C1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CC2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CN=C(C=C3)N)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

C1=CC=C(C=C1)C[C@H](C(=O)N[C@@H](CC2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CN=C(C=C3)N)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):