Geometry & MOs

Info

ID:

302401

PubChem CID:

124361583

Reduced:

NO3C14H19 (2)

Stoich.:

AB3C14D19 (2)

Weight, g/mol:

491.37633

ΔHf, kcal/mol:

-135.49

Dipole, Da:

1.97

IP(EA), eV:

 -8.39(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,8R,9R,10S,13R,14R,17S)-10-methyl-17-[(2S)-6-methylheptan-2-yl]-1,2,3,4,7,8,9,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 4-aminobenzoate

Drug info:

PubChemData

Smile

CCCCOCCCNC1=CC=C2C(=CC1=O)[C@@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations