Geometry & MOs

Info

ID:

427494

PubChem CID:

135159343

Reduced:

N2O3H32C40 (1)

Stoich.:

A2B3C32D40 (1)

Weight, g/mol:

755.2294

ΔHf, kcal/mol:

85.54

Dipole, Da:

2.73

IP(EA), eV:

 -8.37(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(Z)-2-iodoethenyl]-4-(2-methyl-3-phenylspiro[1,2,4a,7,8,8a,9a,10a-octahydroxanthene-9,9'-3,4,4a,5,9a,10a-hexahydroxanthene]-3'-yl)-3a,6,7,7a-tetrahydro-1-benzothiophen-2-amine

Drug info:

PubChemData

Smile

C1C=CCNC1C2=CC3C(C=C2)C4(C5C=CC=CC5O3)C6=C(C=C(C=C6)C7=C8C9=C(NC=C9)OC8=CC=C7)OC1=CC=CC=C41

DOS

IR

Vibrations