Geometry & MOs

Info

ID:	31278
PubChem CID:	855519
Reduced:	ClOSN5H10C13 (1)
Stoich.:	ABCD5E10F13 (1)
Weight, g/mol:	323.049526
ΔH_f, kcal/mol:	43.99
Dipole, Da:	5.78
IP(EA), eV:	-8.93(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-methylphenyl)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)CSC2=NC=C(C(=N2)N)C#N)Cl

DOS

IR

Vibrations