Geometry & MOs

Info

ID:	154615
PubChem CID:	56314087
Reduced:	NSO2C8H10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	474.11619
ΔH_f, kcal/mol:	-122.3
Dipole, Da:	4.7
IP(EA), eV:	-8.49(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCCCOC

DOS

IR

Vibrations