Geometry & MOs

Info

ID:	129193
PubChem CID:	51071902
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	383.16452
ΔH_f, kcal/mol:	-99.01
Dipole, Da:	5.53
IP(EA), eV:	-9.4(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-benzamidoethyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)NCCNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations