Geometry & MOs

Info

ID:	200287
PubChem CID:	79376408
Reduced:	SBr3N3H6C11 (1)
Stoich.:	AB3C3D6E11 (1)
Weight, g/mol:	340.94837
ΔH_f, kcal/mol:	93.12
Dipole, Da:	4.07
IP(EA), eV:	-9.38(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-iodoanilino)-3-methyl-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NSC(=C1C#N)NC2=C(C=C(C=C2Br)Br)Br

DOS

IR

Vibrations