Geometry & MOs

Info

ID:	137361
PubChem CID:	52197664
Reduced:	ON8C17H21 (1)
Stoich.:	AB8C17D21 (1)
Weight, g/mol:	375.114044
ΔH_f, kcal/mol:	112.92
Dipole, Da:	6.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.782059
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CC1N2C(=NN=N2)C3=CC=C(C=C3)NC(=O)NCCC[N+]4=CNC=C4

DOS

IR

Vibrations