Geometry & MOs

Info

ID:

47054

PubChem CID:

10529200

Reduced:

NSiO5C28H35 (1)

Stoich.:

ABC5D28E35 (1)

Weight, g/mol:

493.340338

ΔHf, kcal/mol:

-211.19

Dipole, Da:

2.37

IP(EA), eV:

 -8.41(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-(ethoxymethoxy)-17-formyl-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=C[C@@H]([C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC=C3)C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations