Geometry & MOs

Info

ID:	31240
PubChem CID:	855308
Reduced:	OS2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	-28.73
Dipole, Da:	4.02
IP(EA), eV:	-8.78(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)NC3CCCC3)C

DOS

IR

Vibrations