Geometry & MOs

Info

ID:

215242

PubChem CID:

85084416

Reduced:

S4N6O8C33H36 (1)

Stoich.:

A4B6C8D33E36 (1)

Weight, g/mol:

772.476163

ΔHf, kcal/mol:

-131.69

Dipole, Da:

2.04

IP(EA), eV:

 -8.5(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4-diacetyloxy-6-[[11-(acetyloxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-hydroxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)C12C(=O)N3C4C(C(C3(C(=O)N1C)SSSS2)O)(C5=CC=CC=C5N4)C67C(C8(C(=O)N(C(C(=O)N8C6NC9=CC=CC=C79)CO)C)OC)O

DOS

IR

Vibrations