Geometry & MOs

Info

ID:

378640

PubChem CID:

134224734

Reduced:

OSN3H25C44 (1)

Stoich.:

ABC3D25E44 (1)

Weight, g/mol:

663.234434

ΔHf, kcal/mol:

208.05

Dipole, Da:

1.66

IP(EA), eV:

 -8.13(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-N-(9-phenylnaphtho[1,2-b][1]benzothiol-8-yl)-3-(4-phenylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[2,3-b]pyrazin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(C5=CC=CC=C5O4)N=C3N6C7=CC=CC=C7C8=C6C=C9C1=C(C2=CC=CC=C2C=C1)SC9=C8

DOS

IR

Vibrations