Geometry & MOs

Info

ID:	65420
PubChem CID:	29214906
Reduced:	ClOSN7H18C21 (1)
Stoich.:	ABCD7E18F21 (1)
Weight, g/mol:	397.16848
ΔH_f, kcal/mol:	127.72
Dipole, Da:	10.53
IP(EA), eV:	-8.9(-1.16)
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,N-diethylacetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2/C=N\NC3=NN=C(N3N)SCC(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations