Geometry & MOs

Info

ID:	238281
PubChem CID:	92729937
Reduced:	N3O5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	443.161184
ΔH_f, kcal/mol:	-168.95
Dipole, Da:	4.86
IP(EA), eV:	-9.33(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-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=C3OC

DOS

IR

Vibrations