Geometry & MOs

Info

ID:

397479

PubChem CID:

135030265

Reduced:

O2N5C24H35 (1)

Stoich.:

A2B5C24D35 (1)

Weight, g/mol:

482.264154

ΔHf, kcal/mol:

-24.92

Dipole, Da:

6.02

IP(EA), eV:

 -9.16(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(NE)-N-[(1'R,4'aR,8'aR)-1'-[(E)-2-[(10S)-9-hydroxy-10-methyl-1,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-yl]ethenyl]-1',4'a-dimethylspiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydronaphthalene]-2'-ylidene]hydroxylamine

Drug info:

PubChemData

Smile

C[C@@H]1CCC2([C@@H](C1(C)CC[C@]3(CCN4C=NC5=C4C(=NC=N5)N3O)C)CCCC2=O)C

DOS

IR

Vibrations