Geometry & MOs

Info

ID:	65436
PubChem CID:	29214972
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	461.163394
ΔH_f, kcal/mol:	-71.31
Dipole, Da:	6.06
IP(EA), eV:	-8.52(-0.52)
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-(3-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)[C@H](C(C)C)NC(=O)C1=CC=CC=C1C

DOS

IR

Vibrations