Geometry & MOs

Info

ID:	338427
PubChem CID:	127259119
Reduced:	ClNSO6H8C9 (1)
Stoich.:	ABCD6E8F9 (1)
Weight, g/mol:	303.066221
ΔH_f, kcal/mol:	-143.19
Dipole, Da:	9.03
IP(EA), eV:	-10.73(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetyl 2-(4-chloroanilino)-2-phenylacetate

Drug info:

PubChemData

Smile

CC(=O)OCS(=O)(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations