Geometry & MOs

Info

ID:	128549
PubChem CID:	51049705
Reduced:	N3O4C22H31 (1)
Stoich.:	A3B4C22D31 (1)
Weight, g/mol:	457.156848
ΔH_f, kcal/mol:	-186.77
Dipole, Da:	2.52
IP(EA), eV:	-9.4(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-benzyl-1-[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N2CCC[C@H]2C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations