Geometry & MOs

Info

ID:	259715
PubChem CID:	103172894
Reduced:	NSO2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	251.041628
ΔH_f, kcal/mol:	-13.71
Dipole, Da:	2.95
IP(EA), eV:	-9.03(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(5-fluoropyridin-3-yl)-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=C1C2=CC3=CC=CC=C3N=C2)C(=O)OC

DOS

IR

Vibrations