Geometry & MOs

Info

ID:	401651
PubChem CID:	135051984
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	362.141262
ΔH_f, kcal/mol:	-1.96
Dipole, Da:	3.33
IP(EA), eV:	-8.73(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-acetyl-3-cyclohexyltriazol-4-yl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1COCCN1CC2C(N(N=N2)C3=CC=CC=C3)N4CCOCC4

DOS

IR

Vibrations