Geometry & MOs

Info

ID:	51500
PubChem CID:	12014178
Reduced:	SO6H16C21 (1)
Stoich.:	AB6C16D21 (1)
Weight, g/mol:	468.066759
ΔH_f, kcal/mol:	-160.15
Dipole, Da:	7.02
IP(EA), eV:	-8.65(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(10-hydroxy-16-oxo-13-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,14,17,19,21-decaen-2-yl)benzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1OC3=C(C(=O)C=CC3=C2C4=CC=CC=C4S(=O)(=O)O)C)O

DOS

IR

Vibrations