Geometry & MOs

Info

ID:

85055

PubChem CID:

49871492

Reduced:

N2O2C29H32 (1)

Stoich.:

A2B2C29D32 (1)

Weight, g/mol:

692.447216

ΔHf, kcal/mol:

-37.92

Dipole, Da:

7.3

IP(EA), eV:

 -8.64(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,6S,9R,13R,14S,15S,17R,19S)-9-[(3S)-3-[tert-butyl(diphenyl)silyl]oxybutyl]-14,15-dihydroxy-6,13,19-trimethyl-11-methylidene-8,20-dioxabicyclo[15.2.1]icosan-7-one

Drug info:

PubChemData

Smile

CC1(CCC(C2=CC3=C(C=C21)N(C4=CC=CC=C4CN3C5=CC=C(C=C5)C(=O)O)C)(C)C)C

DOS

IR

Vibrations