Geometry & MOs

Info

ID:	364836
PubChem CID:	127316277
Reduced:	ClNOC7H7 (2)
Stoich.:	ABCD7E7 (2)
Weight, g/mol:	267.104148
ΔH_f, kcal/mol:	-89.96
Dipole, Da:	3.06
IP(EA), eV:	-9.61(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxopyrimidin-1-yl)-N-(thian-4-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)NC2CCC3=C2C=CC(=C3Cl)Cl

DOS

IR

Vibrations