Geometry & MOs

Info

ID:	129156
PubChem CID:	51071765
Reduced:	N3O5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	477.122212
ΔH_f, kcal/mol:	-177.22
Dipole, Da:	9.1
IP(EA), eV:	-8.9(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N2CCC[C@H]2C(=O)NCCCNC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations