Geometry & MOs

Info

ID:

43602

PubChem CID:

10321529

Reduced:

SO3N4C24H26 (1)

Stoich.:

AB3C4D24E26 (1)

Weight, g/mol:

450.261754

ΔHf, kcal/mol:

-67.18

Dipole, Da:

6.41

IP(EA), eV:

 -8.78(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,8R,9S,10S,11S,12S,13S,14S,17S)-17-acetyl-12-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl] acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)NC2=CC3=C(C=C2)C=C(S3)C(=O)N[C@H]4CN5CCC4CC5

DOS

IR

Vibrations