Geometry & MOs

Info

ID:

312131

PubChem CID:

126603323

Reduced:

O2H21C31 (2)

Stoich.:

A2B21C31 (2)

Weight, g/mol:

342.103814

ΔHf, kcal/mol:

56.7

Dipole, Da:

4.73

IP(EA), eV:

 -8.52(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxy-9-methylsulfinyl-4a,5,7,12-tetrahydro-4H-indolo[3,2-d][1]benzazepin-6-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CC3=C(C=C2)C4=CC=CC=C4C5=C3C=C(C=C5)C6=CC(=C(C=C6)C7=CC8=C9C=CC(=CC9=C1C=C(C=CC1=C8C=C7)C1=CC(=CC=C1)O)C1=CC(=CC=C1)O)OC

DOS

IR

Vibrations