Geometry & MOs

Info

ID:	129788
PubChem CID:	51073868
Reduced:	OSN2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	310.182733
ΔH_f, kcal/mol:	-9.52
Dipole, Da:	1.45
IP(EA), eV:	-8.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylcyclohexyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)C2=C(SC(=C2)C)C

DOS

IR

Vibrations