Geometry & MOs

Info

ID:	39357
PubChem CID:	8140471
Reduced:	SO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	372.08373
ΔH_f, kcal/mol:	16.22
Dipole, Da:	2.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.985105
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-bromophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations