Geometry & MOs

Info

ID:	342423
PubChem CID:	127265265
Reduced:	BrS2N3H4C7 (1)
Stoich.:	AB2C3D4E7 (1)
Weight, g/mol:	312.00443
ΔH_f, kcal/mol:	120.42
Dipole, Da:	2.16
IP(EA), eV:	-9.28(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[2-(1-tert-butyltriazol-4-yl)ethenyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1=C(SC(=N1)C=CC2=CSN=N2)Br

DOS

IR

Vibrations