Geometry & MOs

Info

ID:	72439
PubChem CID:	48416177
Reduced:	ClN2O4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	400.163436
ΔH_f, kcal/mol:	-131.98
Dipole, Da:	3.49
IP(EA), eV:	-8.81(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC(=NC=C2)Cl)C(=O)OC

DOS

IR

Vibrations