Geometry & MOs

Info

ID:	268529
PubChem CID:	103599798
Reduced:	ClSN3O3H18C19 (1)
Stoich.:	ABC3D3E18F19 (1)
Weight, g/mol:	411.065365
ΔH_f, kcal/mol:	-50.04
Dipole, Da:	7.22
IP(EA), eV:	-8.94(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C=CC2=C(N=C3N2C=CC=C3)Cl)CS(=O)(=O)C

DOS

IR

Vibrations