Geometry & MOs

Info

ID:	144631
PubChem CID:	53390002
Reduced:	NZnS2O4C13H23 (1)
Stoich.:	ABC2D4E13F23 (1)
Weight, g/mol:	452.207307
ΔH_f, kcal/mol:	-180.25
Dipole, Da:	9.4
IP(EA), eV:	-8.1(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[6-[[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]pyridin-3-yl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN([C@@H](C1O)C(=O)O)C(=O)CCCCC(CCS)S.[Zn+2]

DOS

IR

Vibrations