Geometry & MOs

Info

ID:

43547

PubChem CID:

10321453

Reduced:

N2O2C29H40 (1)

Stoich.:

A2B2C29D40 (1)

Weight, g/mol:

448.264501

ΔHf, kcal/mol:

-116.62

Dipole, Da:

9.75

IP(EA), eV:

 -8.9(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,6R)-6-[2-[(1S,2S,6S,7S,8aR)-7-hydroxy-2,6-dimethyl-8-oxo-2,6,7,8a-tetrahydro-1H-naphthalen-1-yl]ethyl]-4-[tert-butyl(dimethyl)silyl]oxyoxan-2-one

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC45CC6CC(C4)CC(C6)C5)CNC7=CC(=O)C=C[C@]37C

DOS

IR

Vibrations