Geometry & MOs

Info

ID:

322375

PubChem CID:

126669947

Reduced:

N2O2C23H36 (1)

Stoich.:

A2B2C23D36 (1)

Weight, g/mol:

524.244389

ΔHf, kcal/mol:

-104.65

Dipole, Da:

2.41

IP(EA), eV:

 -8.9(0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,4S,5R)-6-[[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxysulfanyl]-3,4,5-trihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CC(C2)CCC3CCN(CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations