Geometry & MOs

Info

ID:	141239
PubChem CID:	52845111
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	-31.13
Dipole, Da:	2.19
IP(EA), eV:	-8.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C[C@@H](CC1=O)C(=O)NC2=C(C=C(C=C2)SC3=NC=CC=N3)C

DOS

IR

Vibrations