Geometry & MOs

Info

ID:	192102
PubChem CID:	78228776
Reduced:	SO2N4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	336.044775
ΔH_f, kcal/mol:	18.06
Dipole, Da:	4.17
IP(EA), eV:	-8.62(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4,6-dimethylphenyl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C(=C)N=N2

DOS

IR

Vibrations