Geometry & MOs

Info

ID:	238282
PubChem CID:	92729938
Reduced:	ClN3O4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	443.161184
ΔH_f, kcal/mol:	-136.34
Dipole, Da:	1.38
IP(EA), eV:	-9.15(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[4-[(3-chlorobenzoyl)amino]benzoyl]-N-(3-methoxypropyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COCCCNC(=O)[C@@H]1CCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations