Geometry & MOs

Info

ID:	68288
PubChem CID:	46508120
Reduced:	SN3O3H23C24 (1)
Stoich.:	AB3C3D23E24 (1)
Weight, g/mol:	464.105182
ΔH_f, kcal/mol:	-36.01
Dipole, Da:	6.63
IP(EA), eV:	-8.63(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC(=C2)/C=C/C(=O)NC3=CC=CC=C3N4CCCC4=O

DOS

IR

Vibrations