Geometry & MOs

Info

ID:	248674
PubChem CID:	103083512
Reduced:	BrNOSH8C11 (1)
Stoich.:	ABCDE8F11 (1)
Weight, g/mol:	336.97721
ΔH_f, kcal/mol:	27.69
Dipole, Da:	2.18
IP(EA), eV:	-9.66(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=CS2)C=O

DOS

IR

Vibrations