Geometry & MOs

Info

ID:

192695

PubChem CID:

78302674

Reduced:

OC14H24 (1)

Stoich.:

AB14C24 (1)

Weight, g/mol:

874.41983

ΔHf, kcal/mol:

-71.81

Dipole, Da:

2.0

IP(EA), eV:

-8.94(1.65)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[14,16-dihydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Drug info:

PubChemData

Smile

CC1CC(C(C2C1C(=CC2)C)C)(C)OC

DOS

IR

Vibrations