Geometry & MOs

Info

ID:	156158
PubChem CID:	56369346
Reduced:	BrClSF2N3O3H13C16 (1)
Stoich.:	ABCD2E3F3G13H16 (1)
Weight, g/mol:	472.126835
ΔH_f, kcal/mol:	-144.38
Dipole, Da:	3.68
IP(EA), eV:	-9.67(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-benzyl-2-hydroxyphenyl)-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=C(N=CC(=C2)Br)Cl)S(=O)(=O)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations