Geometry & MOs

Info

ID:	185875
PubChem CID:	77364469
Reduced:	ClFNSO2H13C15 (1)
Stoich.:	ABCDE2F13G15 (1)
Weight, g/mol:	315.092915
ΔH_f, kcal/mol:	-89.17
Dipole, Da:	1.03
IP(EA), eV:	-8.62(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-methyl-3-[2-[2-(1,3-thiazol-4-yl)ethenyl]phenyl]but-3-enoic acid

Drug info:

PubChemData

Smile

CN1CCC2=C(C=CC3=C2C(=C(S3)C=C(C(=O)O)F)C1)Cl

DOS

IR

Vibrations