Geometry & MOs

Info

ID:

146345

PubChem CID:

53673244

Reduced:

SN3O11C29H35 (1)

Stoich.:

AB3C11D29E35 (1)

Weight, g/mol:

625.590808

ΔHf, kcal/mol:

-383.42

Dipole, Da:

5.95

IP(EA), eV:

 -9.36(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-deuteriohexadecanoate

Drug info:

PubChemData

Smile

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)OC[C@@H]4[C@@]5([C@@](C5(C)C)([C@@]6(C(C6(O4)O)(C)C)O)O)O)SC1)C(=O)O

DOS

IR

Vibrations