Geometry & MOs

Info

ID:	31781
PubChem CID:	3718107
Reduced:	SN2O3H24C25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	366.121355
ΔH_f, kcal/mol:	-52.33
Dipole, Da:	3.43
IP(EA), eV:	-8.39(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-difluorophenyl)sulfonyl-4-(2,4-dimethylphenyl)piperazine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C3N(C(=O)CS3)CCC4=CC=CC=C4

DOS

IR

Vibrations