Geometry & MOs

Info

ID:	248672
PubChem CID:	103083500
Reduced:	BrNSO2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	362.95648
ΔH_f, kcal/mol:	-42.52
Dipole, Da:	4.52
IP(EA), eV:	-9.83(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=C(S2)C)C(=O)O

DOS

IR

Vibrations