Geometry & MOs

Info

ID:	31448
PubChem CID:	855732
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	346.182733
ΔH_f, kcal/mol:	22.14
Dipole, Da:	4.41
IP(EA), eV:	-8.99(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-6-methylphenyl)-2-[(4-ethyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2C)C3CC3

DOS

IR

Vibrations