Geometry & MOs

Info

ID:	129153
PubChem CID:	51071758
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	443.161184
ΔH_f, kcal/mol:	-174.88
Dipole, Da:	8.7
IP(EA), eV:	-9.17(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2-chlorobenzoyl)-N-[3-[(4-methoxybenzoyl)amino]propyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CCC[C@H]1C(=O)NCCCNC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations