Geometry & MOs

Info

ID:	72486
PubChem CID:	48416228
Reduced:	NO5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	386.147786
ΔH_f, kcal/mol:	-164.32
Dipole, Da:	4.12
IP(EA), eV:	-8.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(4-nitrobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC=CO2)C(=O)OC

DOS

IR

Vibrations