Geometry & MOs

Info

ID:	328396
PubChem CID:	126705756
Reduced:	SO2N8C26H32 (1)
Stoich.:	AB2C8D26E32 (1)
Weight, g/mol:	512.221226
ΔH_f, kcal/mol:	17.04
Dipole, Da:	7.45
IP(EA), eV:	-8.5(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazin-1-yl]-4-methyldodeca-4,5,6,7,8,9,10,11-octaen-1-one

Drug info:

PubChemData

Smile

CCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2)NC3=NNC(=C3)C)SC4=CC=C(C=C4)NC(=O)C5CC5

DOS

IR

Vibrations