Geometry & MOs

Info

ID:	296082
PubChem CID:	117555358
Reduced:	SN3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	292.96223
ΔH_f, kcal/mol:	80.3
Dipole, Da:	6.32
IP(EA), eV:	-8.75(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3-methylanilino)-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=NC=C(S2)C#N

DOS

IR

Vibrations