Geometry & MOs

Info

ID:	64099
PubChem CID:	29196117
Reduced:	FSN3O3H24C26 (1)
Stoich.:	ABC3D3E24F26 (1)
Weight, g/mol:	467.167891
ΔH_f, kcal/mol:	-97.56
Dipole, Da:	7.14
IP(EA), eV:	-8.85(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2C(=O)[C@H](SC2=NC3=CC=CC4=CC=CC=C43)CC(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations