Geometry & MOs

Info

ID:	29204
PubChem CID:	832306
Reduced:	ClNOC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	233.062283
ΔH_f, kcal/mol:	-46.99
Dipole, Da:	5.08
IP(EA), eV:	-8.74(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-(3-methylphenyl)-2-sulfanylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=CC(=O)CC(C2)(C)C)Cl

DOS

IR

Vibrations