Geometry & MOs

Info

ID:	31436
PubChem CID:	855717
Reduced:	OSN4C18H26 (1)
Stoich.:	ABC4D18E26 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	-16.81
Dipole, Da:	8.01
IP(EA), eV:	-8.85(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2C)C)C)C(C)C

DOS

IR

Vibrations