Geometry & MOs

Info

ID:	70344
PubChem CID:	48413217
Reduced:	SN3O4C15H19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	386.02998
ΔH_f, kcal/mol:	-12.84
Dipole, Da:	5.67
IP(EA), eV:	-9.1(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methoxyphenyl)sulfonyl-4-but-3-ynylpiperazine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC#C)[N+](=O)[O-]

DOS

IR

Vibrations