Geometry & MOs

Info

ID:

426364

PubChem CID:

135143590

Reduced:

N3O3C35H39 (1)

Stoich.:

A3B3C35D39 (1)

Weight, g/mol:

619.196986

ΔHf, kcal/mol:

-52.98

Dipole, Da:

1.9

IP(EA), eV:

 -8.58(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4'-[(1Z)-1-(3-methyl-1-benzothiophen-2-yl)buta-1,3-dienyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]

Drug info:

PubChemData

Smile

CCNC(=O)N1C(N(C(=O)C1(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC5=CC=CC=C54)C)C(C)(C)C

DOS

IR

Vibrations