Geometry & MOs

Info

ID:	121318
PubChem CID:	50763447
Reduced:	N2O2C12H13 (2)
Stoich.:	A2B2C12D13 (2)
Weight, g/mol:	457.097538
ΔH_f, kcal/mol:	-97.85
Dipole, Da:	6.06
IP(EA), eV:	-8.32(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(2-acetamido-5-methylphenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=NN(C1=O)CC(=O)NC2=CC=C(C=C2)OCC)C3=CC=C(C=C3)C

DOS

IR

Vibrations