Geometry & MOs

Info

ID:	121320
PubChem CID:	50763612
Reduced:	SO3N5H23C26 (1)
Stoich.:	AB3C5D23E26 (1)
Weight, g/mol:	423.136511
ΔH_f, kcal/mol:	-3.7
Dipole, Da:	5.1
IP(EA), eV:	-8.72(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(2-acetamidophenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]-N-(2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2)C3=NNC(=NC3=O)SCC(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations