Geometry & MOs

Info

ID:	186135
PubChem CID:	77395965
Reduced:	O7H22C23 (1)
Stoich.:	A7B22C23 (1)
Weight, g/mol:	450.106316
ΔH_f, kcal/mol:	-220.28
Dipole, Da:	4.31
IP(EA), eV:	-9.03(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzamido-2-(4-nitrophenoxy)carbonyloxy-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC(OC(=O)C=CC1=CC=C(C=C1)OC)OC(=O)C(=C)CC(=O)OC2=CC=CC=C2

DOS

IR

Vibrations