Geometry & MOs

Info

ID:

311653

PubChem CID:

126596837

Reduced:

SN3H33C43 (1)

Stoich.:

AB3C33D43 (1)

Weight, g/mol:

495.146203

ΔHf, kcal/mol:

279.69

Dipole, Da:

8.79

IP(EA), eV:

 -6.9(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-(4-chlorophenyl)-5-methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-4-yl]-N-(2-oxo-1,3-dihydroindol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1(C\2=CCC(/C=C\C=C2)C3=C1C=CC4=C3SC5=C4C=CC=C5C6=C(C=C(C=C6)C#N)N7C8=C(C=CCC8)C9=C7CCC(=C9)C#N)C

DOS

IR

Vibrations