Geometry & MOs

Info

ID:	121321
PubChem CID:	50763646
Reduced:	SO3N5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	451.131425
ΔH_f, kcal/mol:	-35.3
Dipole, Da:	6.42
IP(EA), eV:	-8.98(-1.41)
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-(4-acetylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C(C)SC2=NC(=O)C(=NN2)C3=CC=CC=C3NC(=O)C

DOS

IR

Vibrations