Geometry & MOs

Info

ID:	61860
PubChem CID:	26714725
Reduced:	SN2O6C21H24 (1)
Stoich.:	AB2C6D21E24 (1)
Weight, g/mol:	440.104208
ΔH_f, kcal/mol:	-175.41
Dipole, Da:	3.44
IP(EA), eV:	-8.68(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-acetylphenyl)sulfonylpiperazine-1-carbonyl]chromen-4-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations