Geometry & MOs

Info

ID:

20138

PubChem CID:

580088

Reduced:

NO8C29H39 (1)

Stoich.:

AB8C29D39 (1)

Weight, g/mol:

529.267567

ΔHf, kcal/mol:

-364.93

Dipole, Da:

1.23

IP(EA), eV:

 -9.64(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(12-acetyloxy-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl)ethyl pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1(CCC2(C1(C(CC3C2(CC=C4C3(CCC(C4)O)C)O)OC(=O)C)C)O)O)OC(=O)C5=CN=CC=C5

DOS

IR

Vibrations