Geometry & MOs

Info

ID:

169239

PubChem CID:

75077850

Reduced:

ClSO2N3C22H26 (1)

Stoich.:

ABC2D3E22F26 (1)

Weight, g/mol:

952.539551

ΔHf, kcal/mol:

-12.37

Dipole, Da:

9.55

IP(EA), eV:

 -9.27(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-hydroxy-5-[[17-[3-hydroxy-5-(2-methylprop-1-enyl)-2-oxooxolan-3-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxycyclohexyl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)C1(CCC(CC1)OC2=CC3=CC=NC(=O)C3=CC2Cl)C(C4=CN=CS4)N

DOS

IR

Vibrations