Geometry & MOs

Info

ID:

310567

PubChem CID:

126582271

Reduced:

FON3C31H40 (1)

Stoich.:

ABC3D31E40 (1)

Weight, g/mol:

390.27701

ΔHf, kcal/mol:

-52.19

Dipole, Da:

3.13

IP(EA), eV:

 -8.35(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-[(5R,8R,10S,13R,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

Drug info:

PubChemData

Smile

CCC1=C(N=C(C(=C1N2CCC(CC2)(C)C)C3=CC=C(C=C3)OCCC4=CC=C(C=C4)F)CNC)C

DOS

IR

Vibrations