Geometry & MOs

Info

ID:

159464

PubChem CID:

57280257

Reduced:

N3S3O8H23C33 (1)

Stoich.:

A3B3C8D23E33 (1)

Weight, g/mol:

514.16198

ΔHf, kcal/mol:

-115.77

Dipole, Da:

10.09

IP(EA), eV:

 -8.62(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(4aS)-9-bromo-6-methyl-2-(2-phenylethyl)-1,3,4,5,11,11a-hexahydropyrido[4,3-b]carbazol-4a-yl]phenol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2OC3=NC(=NC=N3)SC4=CC=C(C=C4)O)OC5=CC=CC=C5S(=O)(=O)C6=CC=C(C=C6)O

DOS

IR

Vibrations