Geometry & MOs

Info

ID:	315420
PubChem CID:	126626218
Reduced:	ON3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	502.269555
ΔH_f, kcal/mol:	-3.5
Dipole, Da:	4.53
IP(EA), eV:	-8.83(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phosphonooxymethyl (4R)-4-[(3R,5S,7S,8R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

CCC1=C2C(=NC=N1)NCCO2

DOS

IR

Vibrations