Geometry & MOs

Info

ID:

300544

PubChem CID:

121360484

Reduced:

NS2O3C15H15 (1)

Stoich.:

AB2C3D15E15 (1)

Weight, g/mol:

668.405321

ΔHf, kcal/mol:

-84.75

Dipole, Da:

7.9

IP(EA), eV:

 -9.26(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-[2-[2-[[(3S,8S,9S,10R,13R,14S,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]oxy]ethoxy]ethoxy]-3-oxopropyl]-hydroxyphosphoryl]oxyacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCC(=O)O)C

DOS

IR

Vibrations