Geometry & MOs

Info

ID:	72453
PubChem CID:	48416191
Reduced:	NO5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	400.163436
ΔH_f, kcal/mol:	-183.51
Dipole, Da:	4.81
IP(EA), eV:	-8.79(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CC2=CC=CC=C2OC)C(=O)OC

DOS

IR

Vibrations