Geometry & MOs

Info

ID:	65428
PubChem CID:	29214938
Reduced:	ClOSN7H20C22 (1)
Stoich.:	ABCD7E20F22 (1)
Weight, g/mol:	491.173959
ΔH_f, kcal/mol:	125.87
Dipole, Da:	8.01
IP(EA), eV:	-8.7(-1.08)
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-[(3,5-dimethoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2/C=N\NC3=NN=C(N3N)SCC(=O)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations