Geometry & MOs

Info

ID:	284469
PubChem CID:	104048227
Reduced:	SN2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	229.01975
ΔH_f, kcal/mol:	58.84
Dipole, Da:	2.44
IP(EA), eV:	-9.13(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethynyl-1,3-thiazol-2-yl)benzoic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)CNC(C)(C)C)C#C

DOS

IR

Vibrations