Geometry & MOs

Info

ID:

46205

PubChem CID:

10523151

Reduced:

ISN2C14H15 (1)

Stoich.:

ABC2D14E15 (1)

Weight, g/mol:

370.105253

ΔHf, kcal/mol:

66.51

Dipole, Da:

4.18

IP(EA), eV:

-8.02(-1.02)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4'S,6'S,7'S,8'aR)-4',6',7',8'a-tetrahydroxyspiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,8'-3,4,6,7-tetrahydro-2H-naphthalene]-1'-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=[N+](C3=CC=CC=C3N2C)C.[I-]

DOS

IR

Vibrations