Geometry & MOs

Info

ID:

190284

PubChem CID:

77980582

Reduced:

SN4O5C41H50 (1)

Stoich.:

AB4C5D41E50 (1)

Weight, g/mol:

452.172752

ΔHf, kcal/mol:

-130.86

Dipole, Da:

4.6

IP(EA), eV:

 -8.37(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-(2-imidazol-1-ylethyl)-6,6-dimethylmorpholine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)NC(=O)C1=CC2=C(C=C1)C(=C3N2CC4(CC4C5=C3C=CC(=C5)OC)C(=O)N6CCN(CC6C7CC=CC=C7)C)C8CCCCC8

DOS

IR

Vibrations