Geometry & MOs

Info

ID:	65427
PubChem CID:	29214934
Reduced:	SO3N4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	465.113857
ΔH_f, kcal/mol:	-93.41
Dipole, Da:	2.82
IP(EA), eV:	-8.52(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-[(2Z)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)[C@H]1CC(=O)N(C1)C2=CC=C(C=C2)OCC

DOS

IR

Vibrations