Geometry & MOs

Info

ID:	175203
PubChem CID:	75866376
Reduced:	SO2N5C22H33 (1)
Stoich.:	AB2C5D22E33 (1)
Weight, g/mol:	430.993189
ΔH_f, kcal/mol:	-61.62
Dipole, Da:	2.02
IP(EA), eV:	-8.76(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(2-sulfanylidene-3H-pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2C(=O)C3CCCCC3N4C2=NN=C4SC5CCCCNC5=O

DOS

IR

Vibrations