Geometry & MOs

Info

ID:	72455
PubChem CID:	48416193
Reduced:	NO5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-189.73
Dipole, Da:	5.56
IP(EA), eV:	-8.72(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CCC2=CC=C(C=C2)OC)C(=O)OC

DOS

IR

Vibrations