Geometry & MOs

Info

ID:	196331
PubChem CID:	78812460
Reduced:	SN5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	395.177982
ΔH_f, kcal/mol:	105.1
Dipole, Da:	7.83
IP(EA), eV:	-8.8(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCN1C(=NN=N1)CSC2=NC3=CC=CC=C3C(=C2)C

DOS

IR

Vibrations