Geometry & MOs

Info

ID:	34343
PubChem CID:	7890852
Reduced:	N2O5H20C22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	382.03902
ΔH_f, kcal/mol:	-162.81
Dipole, Da:	4.73
IP(EA), eV:	-8.48(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 4-aminobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=C(C3=CC=CC=C3C=C2)O

DOS

IR

Vibrations