Geometry & MOs

Info

ID:

223814

PubChem CID:

85335612

Reduced:

S2F4N4O5H18C24 (1)

Stoich.:

A2B4C4D5E18F24 (1)

Weight, g/mol:

588.238244

ΔHf, kcal/mol:

-306.78

Dipole, Da:

10.46

IP(EA), eV:

 -8.86(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[[4-amino-2-(3,4-dichlorophenyl)butanoyl]amino]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]-3-(morpholin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(C1=CC(=C(C=C1C#N)F)N2C(=O)CC(N(C2=O)C)C(F)(F)F)C(=O)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations