Geometry & MOs

Info

ID:

1015

PubChem CID:

3670

Reduced:

S3O12C31H52 (1)

Stoich.:

A3B12C31D52 (1)

Weight, g/mol:

712.262091

ΔHf, kcal/mol:

-554.88

Dipole, Da:

6.62

IP(EA), eV:

 -9.68(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[10,13,14-trimethyl-17-[4-(2-methyl-1-propan-2-ylcyclopropyl)butan-2-yl]-2,3-disulfooxy-1,2,3,4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CC1CC1(CCC(C)C2CCC3(C2(CC=C4C3CC(C5C4(CC(C(C5)OS(=O)(=O)O)OS(=O)(=O)O)C)OS(=O)(=O)O)C)C)C(C)C

DOS

IR

Vibrations