Geometry & MOs

Info

ID:	228114
PubChem CID:	87563474
Reduced:	ON2C6H12 (1)
Stoich.:	AB2C6D12 (1)
Weight, g/mol:	331.062677
ΔH_f, kcal/mol:	-27.34
Dipole, Da:	3.34
IP(EA), eV:	-9.12(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-amino-3-ethynyl-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)C(C=O)N

DOS

IR

Vibrations