Geometry & MOs

Info

ID:	155717
PubChem CID:	56367118
Reduced:	ClF2N2S2O3H15C19 (1)
Stoich.:	AB2C2D2E3F15G19 (1)
Weight, g/mol:	426.061648
ΔH_f, kcal/mol:	-133.5
Dipole, Da:	4.05
IP(EA), eV:	-8.95(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NC2=C(C(=CC=C2)Cl)SC(F)F)OCC3=CSC=N3

DOS

IR

Vibrations