Geometry & MOs

Info

ID:

47081

PubChem CID:

10529460

Reduced:

SO3N4C28H30 (1)

Stoich.:

AB3C4D28E30 (1)

Weight, g/mol:

502.257308

ΔHf, kcal/mol:

-21.45

Dipole, Da:

1.9

IP(EA), eV:

 -8.36(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aS,5R,8S,9Z,10aR)-5-(benzenesulfonyl)-8-[tert-butyl(dimethyl)silyl]oxy-4,7,7,10a-tetramethyl-4a,5,6,8-tetrahydro-4H-benzo[8]annulen-3-one

Drug info:

PubChemData

Smile

CSC(=NC1=CC2=C(C=C1)NC3=C2C[C@]4([C@H]5CC6=C7[C@]4([C@H]3OC7=C(C=C6)O)CCN5CC8CC8)O)N

DOS

IR

Vibrations