Geometry & MOs

Info

ID:	275979
PubChem CID:	103819665
Reduced:	NCl2O5H15C18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	357.121237
ΔH_f, kcal/mol:	-177.75
Dipole, Da:	4.79
IP(EA), eV:	-9.89(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NC(CC(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)O

DOS

IR

Vibrations