Geometry & MOs

Info

ID:	200286
PubChem CID:	79376407
Reduced:	OSN3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	450.78121
ΔH_f, kcal/mol:	7.67
Dipole, Da:	5.64
IP(EA), eV:	-9.04(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(2,4,6-tribromoanilino)-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NSC(=C1C#N)NCC2CCCO2

DOS

IR

Vibrations