Geometry & MOs

Info

ID:	129163
PubChem CID:	51071806
Reduced:	N3O4C24H35 (1)
Stoich.:	A3B4C24D35 (1)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-191.98
Dipole, Da:	6.68
IP(EA), eV:	-9.11(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-benzoyl-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC2CCC(CC2)NC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations