Geometry & MOs

Info

ID:

126982

PubChem CID:

50986507

Reduced:

NOF2C10H13 (1)

Stoich.:

ABC2D10E13 (1)

Weight, g/mol:

640.506675

ΔHf, kcal/mol:

-139.02

Dipole, Da:

4.17

IP(EA), eV:

 -9.28(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enoyl 11-[(3S,8S,9S,10S,12R,13S,15R,17S)-3,15-dihydroxy-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-12-yl]undecanoate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)OC(F)F)N

DOS

IR

Vibrations