Geometry & MOs

Info

ID:	72413
PubChem CID:	48416149
Reduced:	N2O6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	393.114314
ΔH_f, kcal/mol:	-150.21
Dipole, Da:	3.68
IP(EA), eV:	-8.88(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C(=O)OC

DOS

IR

Vibrations