Geometry & MOs

Info

ID:	31306
PubChem CID:	855553
Reduced:	OSN5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	254.120132
ΔH_f, kcal/mol:	34.96
Dipole, Da:	4.13
IP(EA), eV:	-8.42(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=N1)SCC(=O)NC2=C(C=C(C=C2)C)C

DOS

IR

Vibrations