Geometry & MOs

Info

ID:	68420
PubChem CID:	46508374
Reduced:	SN2O6C19H28 (1)
Stoich.:	AB2C6D19E28 (1)
Weight, g/mol:	435.115018
ΔH_f, kcal/mol:	-260.82
Dipole, Da:	4.37
IP(EA), eV:	-8.69(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dichlorophenyl)sulfonyl-N-heptan-2-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2CCN(CC2)S(=O)(=O)C

DOS

IR

Vibrations