Geometry & MOs

Info

ID:	141238
PubChem CID:	52845038
Reduced:	ClSN3O3C24H26 (1)
Stoich.:	ABC3D3E24F26 (1)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	-76.53
Dipole, Da:	8.66
IP(EA), eV:	-8.94(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-ethyl-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NC3=C(C=CC(=C3)C(=O)N(C)C(C)C)Cl

DOS

IR

Vibrations