Geometry & MOs

Info

ID:	208723
PubChem CID:	80571855
Reduced:	BrSN2O2H9C11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	301.968354
ΔH_f, kcal/mol:	-25.67
Dipole, Da:	8.2
IP(EA), eV:	-9.16(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,3-dichloroanilino)-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)NC2=NC=C(S2)C(=O)O

DOS

IR

Vibrations