Geometry & MOs

Info

ID:

379761

PubChem CID:

134464813

Reduced:

O4N6H50C53 (1)

Stoich.:

A4B6C50D53 (1)

Weight, g/mol:

922.30176

ΔHf, kcal/mol:

71.14

Dipole, Da:

8.55

IP(EA), eV:

 -8.65(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[acetyl(oxan-4-yl)amino]-N-[6-bromo-5-[(3,5-difluorophenyl)methyl]-1-tritylindazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(=O)N(C1CCOCC1)C2=C(C=CC(=C2)N3CCN(CC3)C)C(=O)NC4=NN(C5=C4C=CC(=C5)C#CC6=CC(=CC=C6)O)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations