Geometry & MOs

Info

ID:	64451
PubChem CID:	29200666
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	438.206719
ΔH_f, kcal/mol:	-126.02
Dipole, Da:	1.97
IP(EA), eV:	-8.75(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1C(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

DOS

IR

Vibrations