Geometry & MOs

Info

ID:

223914

PubChem CID:

85335763

Reduced:

P3N5C18O19H30 (1)

Stoich.:

A3B5C18D19E30 (1)

Weight, g/mol:

714.397913

ΔHf, kcal/mol:

-1031.76

Dipole, Da:

11.29

IP(EA), eV:

 -10.24(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[16-acetyloxy-3-[(2,3-diacetyloxy-3,6-dihydro-2H-pyran-6-yl)oxy]-4,8,10,14-tetramethyl-11-oxo-1,2,3,4,5,6,7,9,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]-6-methylheptanoic acid

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(NP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4CCC(=O)NC4=O)O)O)O)O)O

DOS

IR

Vibrations