Geometry & MOs

Info

ID:	200325
PubChem CID:	79376446
Reduced:	SN2O3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	354.00376
ΔH_f, kcal/mol:	-125.45
Dipole, Da:	7.61
IP(EA), eV:	-8.83(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(4-bromophenyl)methylamino]-3-methyl-1,2-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOCCCNC1=C(C(=NS1)C)C(=O)OCC

DOS

IR

Vibrations