Geometry & MOs

Info

ID:	243077
PubChem CID:	99215414
Reduced:	SO2N4C18H34 (1)
Stoich.:	AB2C4D18E34 (1)
Weight, g/mol:	473.086841
ΔH_f, kcal/mol:	-102.47
Dipole, Da:	6.58
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine

Drug info:

PubChemData

Smile

CCC[C@@H](C)NS(=O)(=O)C1=CN=C(C=C1)NCCN(C(C)C)C(C)C

DOS

IR

Vibrations