Geometry & MOs

Info

ID:	190768
PubChem CID:	78053756
Reduced:	SN2O2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	361.0717
ΔH_f, kcal/mol:	14.4
Dipole, Da:	3.09
IP(EA), eV:	-9.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-chloro-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CN1C(=O)C(=CC2=COC3=CC=CC=C32)N=C1SC

DOS

IR

Vibrations