Geometry & MOs

Info

ID:	441054
PubChem CID:	135232885
Reduced:	SN3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	741.00183
ΔH_f, kcal/mol:	64.34
Dipole, Da:	2.48
IP(EA), eV:	-8.22(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-cyanopyridin-2-yl)-N-[(1S)-1-(2,4-dichlorophenyl)-2-[(3-fluoro-3-iodocyclobutyl)amino]-2-oxoethyl]-N-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=N/C=C(\C=C)/C1=NC(=CS1)N)C

DOS

IR

Vibrations