Geometry & MOs

Info

ID:

10812

PubChem CID:

108205

Reduced:

NO10C30H31 (1)

Stoich.:

AB10C30D31 (1)

Weight, g/mol:

565.194796

ΔHf, kcal/mol:

-351.34

Dipole, Da:

11.14

IP(EA), eV:

 -8.78(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7'-[amino(hydroxy)methylidene]-3',4',9',12',14'-pentahydroxy-16'-methoxy-1,5,5-trimethylspiro[cyclohexene-6,18'-pentacyclo[11.6.1.02,11.04,9.017,20]icosa-1(20),2(11),12,14,16-pentaene]-6',8',10'-trione

Drug info:

PubChemData

Smile

CC1=CCCC(C12CC3=C4C2=C(C=C(C4=C(C5=C3C(C6(CC(=O)C(=C(N)O)C(=O)C6(C5=O)O)O)O)O)O)OC)(C)C

DOS

IR

Vibrations