Geometry & MOs

Info

ID:	64119
PubChem CID:	29196246
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	397.093012
ΔH_f, kcal/mol:	-24.68
Dipole, Da:	2.51
IP(EA), eV:	-8.79(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCNC(=O)C1=CC2=CC=CC=C2N1

DOS

IR

Vibrations