Geometry & MOs

Info

ID:

85539

PubChem CID:

49876664

Reduced:

BrS2N5O5C25H27 (1)

Stoich.:

AB2C5D5E25F27 (1)

Weight, g/mol:

586.166422

ΔHf, kcal/mol:

-45.07

Dipole, Da:

5.78

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.588004

Charge, e:

 -1

Chem-info

IUPAC name:

2-[4-[4-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide;chloride

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=C(S2)/C=N/NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5.[Br-]

DOS

IR

Vibrations