Geometry & MOs

Info

ID:	64130
PubChem CID:	29196284
Reduced:	SO2N3H23C25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	492.164283
ΔH_f, kcal/mol:	11.43
Dipole, Da:	3.98
IP(EA), eV:	-8.7(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)N(C(=NC3=CC=CC4=CC=CC=C43)S2)C5CC5

DOS

IR

Vibrations