Geometry & MOs

Info

ID:	72420
PubChem CID:	48416157
Reduced:	NO5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	400.163436
ΔH_f, kcal/mol:	-184.38
Dipole, Da:	4.95
IP(EA), eV:	-8.47(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC=CC=C2OCC)C(=O)OC

DOS

IR

Vibrations