Geometry & MOs

Info

ID:

214699

PubChem CID:

85083429

Reduced:

SSiN3O9C25H35 (1)

Stoich.:

ABC3D9E25F35 (1)

Weight, g/mol:

579.304986

ΔHf, kcal/mol:

-399.57

Dipole, Da:

9.24

IP(EA), eV:

 -8.8(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-13-methyl-11,12,14,15,16,17-hexahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate;N,N-diethylethanamine

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)N3CCC(=O)N(C3=O)C)OC(=O)C4=CC=CC=C4)C(=CS(=O)(=O)O2)N

DOS

IR

Vibrations