Geometry & MOs

Info

ID:	175730
PubChem CID:	75942201
Reduced:	SF2O2N3C24H30 (1)
Stoich.:	AB2C2D3E24F30 (1)
Weight, g/mol:	439.192963
ΔH_f, kcal/mol:	-124.82
Dipole, Da:	7.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752978
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyphenyl)-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=C(C=C1)CC[NH+]2CCSCC2)NC(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations