Geometry & MOs

Info

ID:	169775
PubChem CID:	75145973
Reduced:	SiO5C31H56 (1)
Stoich.:	AB5C31D56 (1)
Weight, g/mol:	340.061674
ΔH_f, kcal/mol:	-322.76
Dipole, Da:	1.95
IP(EA), eV:	-8.73(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-(7-hydroxy-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)benzenesulfonic acid

Drug info:

PubChemData

Smile

CC(CO[Si](C)(C)C(C)(C)C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)OCOC)OCOC)C

DOS

IR

Vibrations