Geometry & MOs

Info

ID:

437371

PubChem CID:

135226180

Reduced:

SF2O3N7H21C27 (1)

Stoich.:

AB2C3D7E21F27 (1)

Weight, g/mol:

662.098937

ΔHf, kcal/mol:

-66.16

Dipole, Da:

4.34

IP(EA), eV:

 -9.09(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-6-(pentafluoro-lambda6-sulfanyl)indole-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)NC2=CC=CC(=C2F)C3=CC4=C(N=C3)SC=N4)C(=O)CN5C6=CC=CC=C6C(=N5)C(=O)N)F

DOS

IR

Vibrations