Geometry & MOs

Info

ID:	39195
PubChem CID:	8139897
Reduced:	ClSN2O3C19H23 (1)
Stoich.:	ABC2D3E19F23 (1)
Weight, g/mol:	355.202168
ΔH_f, kcal/mol:	-91.99
Dipole, Da:	4.5
IP(EA), eV:	-8.68(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)CCS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations