Geometry & MOs

Info

ID:

219701

PubChem CID:

85164597

Reduced:

SiO4C35H52 (1)

Stoich.:

AB4C35D52 (1)

Weight, g/mol:

564.367088

ΔHf, kcal/mol:

-245.92

Dipole, Da:

5.44

IP(EA), eV:

 -9.12(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbothioylsulfanyl]propanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCC(C1CCC(O1)C2CCC(=O)O2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations