Geometry & MOs

Info

ID:	365598
PubChem CID:	127318205
Reduced:	SO2N4C19H34 (1)
Stoich.:	AB2C4D19E34 (1)
Weight, g/mol:	394.183875
ΔH_f, kcal/mol:	-116.09
Dipole, Da:	6.5
IP(EA), eV:	-8.6(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(thian-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)CN2CCN(CC2)C(=O)NCC3CCSCC3

DOS

IR

Vibrations