Geometry & MOs

Info

ID:

391200

PubChem CID:

135003516

Reduced:

NPO3C18H23 (2)

Stoich.:

ABC3D18E23 (2)

Weight, g/mol:

804.424356

ΔHf, kcal/mol:

-305.63

Dipole, Da:

2.34

IP(EA), eV:

 -9.07(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,9S,10S,11S,13S,14S,17R)-3-(benzylamino)-17-[1-(benzylamino)-1-diethoxyphosphoryl-2-hydroxyethyl]-3-diethoxyphosphoryl-10-methyl-1,2,4,5,6,7,8,9,11,12,13,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-11,17-diol

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=CC=C1)(C(C2=CC=CC=C2)(NCC3=CC=CC=C3)P(=O)(OCC)OCC)NCC4=CC=CC=C4)OCC

DOS

IR

Vibrations