Geometry & MOs

Info

ID:

313779

PubChem CID:

126617577

Reduced:

FSN4O6C30H33 (1)

Stoich.:

ABC4D6E30F33 (1)

Weight, g/mol:

620.13079

ΔHf, kcal/mol:

-229.86

Dipole, Da:

9.33

IP(EA), eV:

 -9.35(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-N-cyclopropylsulfonylindole-5-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)C(=O)NS(=O)(=O)C3CC3)CC(=O)N4C[C@@H](C[C@H]4C(=O)NCCCC5=CC=CC=C5)F

DOS

IR

Vibrations