Geometry & MOs

Info

ID:	70335
PubChem CID:	48413207
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	378.061648
ΔH_f, kcal/mol:	-92.59
Dipole, Da:	7.52
IP(EA), eV:	-8.83(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-3-ynyl-4-[3-chloro-4-(difluoromethoxy)phenyl]sulfonylpiperazine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CCC#C)OCCOC

DOS

IR

Vibrations