Geometry & MOs

Info

ID:

218752

PubChem CID:

85089909

Reduced:

ClNO6C27H34 (1)

Stoich.:

ABC6D27E34 (1)

Weight, g/mol:

502.357759

ΔHf, kcal/mol:

-153.27

Dipole, Da:

7.71

IP(EA), eV:

 -9.09(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[17-(7-chloro-6-methylhept-5-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane

Drug info:

PubChemData

Smile

CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCCCC5=CON=C5C6=CC=C(C=C6)Cl)C

DOS

IR

Vibrations