Geometry & MOs

Info

ID:

44396

PubChem CID:

10503363

Reduced:

SN2O4C24H30 (1)

Stoich.:

AB2C4D24E30 (1)

Weight, g/mol:

442.271924

ΔHf, kcal/mol:

-137.53

Dipole, Da:

2.38

IP(EA), eV:

 -8.47(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,4S,5'R,6S,7S,8R,9S,12S,13R,15R,17S,19S)-5',7,9,13-tetramethylspiro[5,16-dioxahexacyclo[10.9.0.02,9.04,8.013,19.015,17]henicosane-6,2'-oxane]-3',20-dione

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)S[C@@H]([C@@H](C(=O)N2CCN(C)C)OC(=O)C)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations