Geometry & MOs

Info

ID:	224220
PubChem CID:	85340203
Reduced:	O2F3H13C19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	329.963269
ΔH_f, kcal/mol:	-157.44
Dipole, Da:	4.9
IP(EA), eV:	-9.59(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(2,6-dichloroanilino)-4-oxo-1,3-thiazol-5-ylidene]acetate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C1=CC3=CC(=C(C=C3)F)F)C=CC(=C2)F)CC(=O)O

DOS

IR

Vibrations