Geometry & MOs

Info

ID:	129174
PubChem CID:	51071851
Reduced:	NOF2C9H9 (3)
Stoich.:	ABC2D9E9 (3)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-419.89
Dipole, Da:	5.0
IP(EA), eV:	-9.83(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-benzamidocyclohexyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)NC3CCC(CC3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations