Geometry & MOs

Info

ID:	195996
PubChem CID:	78762742
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	389.131031
ΔH_f, kcal/mol:	-66.94
Dipole, Da:	2.89
IP(EA), eV:	-8.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-ylpropanamide

Drug info:

PubChemData

Smile

CCCCOC(=O)CSC1=NN=C(N1C)C2=CC=CC=C2OC

DOS

IR

Vibrations