Geometry & MOs

Info

ID:	39146
PubChem CID:	8139789
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	329.142066
ΔH_f, kcal/mol:	-77.59
Dipole, Da:	2.42
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)SC1=NC2=CC=CC=C2C(=O)N1C3=C(C=CC(=C3)C)OC

DOS

IR

Vibrations