Geometry & MOs

Info

ID:

325110

PubChem CID:

126680907

Reduced:

O3C35H60 (1)

Stoich.:

A3B35C60 (1)

Weight, g/mol:

745.542744

ΔHf, kcal/mol:

-241.47

Dipole, Da:

1.59

IP(EA), eV:

 -9.09(0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-[2-[[2-[(2R)-3-amino-2-(methylamino)-3-oxopropyl]sulfanylacetyl]amino]-2-methylpropoxy]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC[C@]12CC[C@@H](CC1=CCC3C2CCC4C3CC[C@@H]4C(C)CCCC(C)C)OC(=O)CCC(C)(C)OCC

DOS

IR

Vibrations