Geometry & MOs

Info

ID:	39557
PubChem CID:	8141330
Reduced:	SN2O4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	359.073991
ΔH_f, kcal/mol:	-85.86
Dipole, Da:	5.52
IP(EA), eV:	-8.23(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[2-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC=C(O3)C)OCC

DOS

IR

Vibrations