Geometry & MOs

Info

ID:	72510
PubChem CID:	48416253
Reduced:	N3O6C21H25 (1)
Stoich.:	A3B6C21D25 (1)
Weight, g/mol:	419.140259
ΔH_f, kcal/mol:	-151.46
Dipole, Da:	7.97
IP(EA), eV:	-8.94(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations