Geometry & MOs

Info

ID:	34345
PubChem CID:	7890867
Reduced:	ClN2O6H13C19 (1)
Stoich.:	AB2C6D13E19 (1)
Weight, g/mol:	406.135114
ΔH_f, kcal/mol:	-124.22
Dipole, Da:	1.8
IP(EA), eV:	-9.11(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl] 4-aminobenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2O)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations