Geometry & MOs

Info

ID:	65421
PubChem CID:	29214915
Reduced:	OSN7C19H23 (1)
Stoich.:	ABC7D19E23 (1)
Weight, g/mol:	397.16848
ΔH_f, kcal/mol:	98.58
Dipole, Da:	9.75
IP(EA), eV:	-8.72(-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-tert-butylacetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CSC1=NN=C(N1N)N/N=C\C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations