Geometry & MOs

Info

ID:	64101
PubChem CID:	29196127
Reduced:	FNOSH14C18 (1)
Stoich.:	ABCDE14F18 (1)
Weight, g/mol:	435.162806
ΔH_f, kcal/mol:	-26.18
Dipole, Da:	4.28
IP(EA), eV:	-9.08(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)C3=CC4=C(S3)C=C(C=C4)F

DOS

IR

Vibrations