Geometry & MOs

Info

ID:	405635
PubChem CID:	135074743
Reduced:	SO2N3H21C25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	472.123898
ΔH_f, kcal/mol:	84.79
Dipole, Da:	5.75
IP(EA), eV:	-9.17(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclopropylideneethyl)-4-methyl-N-[[1-(4-methylphenyl)sulfonyltriazol-4-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=N2)C3=CC=CC=C3C(=C4CC4)C5=CC=CC=C5

DOS

IR

Vibrations