Geometry & MOs

Info

ID:	401696
PubChem CID:	135052161
Reduced:	SO3N4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	458.117939
ΔH_f, kcal/mol:	-21.14
Dipole, Da:	4.75
IP(EA), eV:	-9.59(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-chlorobenzoyl)-3-cyclohexyltriazol-4-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=NN2CC3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations