Geometry & MOs

Info

ID:	200316
PubChem CID:	79376437
Reduced:	SO2N3C14H25 (1)
Stoich.:	AB2C3D14E25 (1)
Weight, g/mol:	354.00376
ΔH_f, kcal/mol:	-87.53
Dipole, Da:	4.46
IP(EA), eV:	-8.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-bromo-3-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SN=C1C)NCC(C)(C)CN(C)C

DOS

IR

Vibrations