Geometry & MOs

Info

ID:	200318
PubChem CID:	79376439
Reduced:	FOSN2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	310.044585
ΔH_f, kcal/mol:	-43.03
Dipole, Da:	7.42
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methyl-5-(4-methylsulfonylanilino)-1,2-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)C)NCCC2=CC=CC=C2F

DOS

IR

Vibrations