Geometry & MOs

Info

ID:	284481
PubChem CID:	104049846
Reduced:	NO2S2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	344.015304
ΔH_f, kcal/mol:	-43.11
Dipole, Da:	5.83
IP(EA), eV:	-9.24(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(3,5-dichloropyridin-2-yl)-1,3-thiazol-4-yl]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C2=NC(=CS2)C(C)(C)C(=O)O

DOS

IR

Vibrations