Geometry & MOs

Info

ID:	395403
PubChem CID:	135025374
Reduced:	OSiYC4H12 (1)
Stoich.:	ABCD4E12 (1)
Weight, g/mol:	325.116152
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	2.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.715098
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3aS,6R,7R,7aS)-6,7-dihydroxy-2,2-dimethyl-5,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-3a-yl]methyl]pyrrole-2,5-dicarbaldehyde

Drug info:

PubChemData

Smile

[CH3-].CO[Si](C)C.[Y]

DOS

IR

Vibrations