Geometry & MOs

Info

ID:	72404
PubChem CID:	48416137
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	416.231122
ΔH_f, kcal/mol:	-189.33
Dipole, Da:	5.55
IP(EA), eV:	-8.59(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations