Geometry & MOs

Info

ID:	77467
PubChem CID:	49635714
Reduced:	ClFO2N5C19H23 (1)
Stoich.:	ABC2D5E19F23 (1)
Weight, g/mol:	412.19444
ΔH_f, kcal/mol:	-94.67
Dipole, Da:	7.57
IP(EA), eV:	-9.05(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfonyl-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CCCNC(=O)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations