Geometry & MOs

Info

ID:

215262

PubChem CID:

85084450

Reduced:

S2O9N11C31H49 (1)

Stoich.:

A2B9C11D31E49 (1)

Weight, g/mol:

782.43364

ΔHf, kcal/mol:

-380.44

Dipole, Da:

7.14

IP(EA), eV:

 -8.92(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-bromo-3-[tert-butyl(dimethyl)silyl]oxy-17-[5-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)NNC(CS)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(=O)N)C(C)(C)S

DOS

IR

Vibrations