Geometry & MOs

Info

ID:

395296

PubChem CID:

135025113

Reduced:

OH7C8 (2)

Stoich.:

AB7C8 (2)

Weight, g/mol:

674.382278

ΔHf, kcal/mol:

-41.84

Dipole, Da:

3.92

IP(EA), eV:

-9.34(-0.54)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl 2-[(1S,2R,3aR,5aS,6R,7S,8S,8aR,8bR)-2-acetyl-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-7-methyl-1,2,3,3a,5a,6,7,8,8a,8b-decahydro-as-indacen-1-yl]acetate

Drug info:

PubChemData

Smile

CC1(CC(=O)C2=CC=CC=C2C3=CC=CC=C31)O

DOS

IR

Vibrations