Geometry & MOs

Info

ID:	354921
PubChem CID:	127287681
Reduced:	S2N3O4C16H25 (1)
Stoich.:	A2B3C4D16E25 (1)
Weight, g/mol:	338.141262
ΔH_f, kcal/mol:	-173.26
Dipole, Da:	8.6
IP(EA), eV:	-9.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-1-propan-2-ylpyrimidin-2-yl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1CCS(=O)(=O)C1)SC2=NC(=O)C=CN2C(C)C

DOS

IR

Vibrations