Geometry & MOs

Info

ID:	200496
PubChem CID:	79400145
Reduced:	BrOS2N3C8H8 (1)
Stoich.:	ABC2D3E8F8 (1)
Weight, g/mol:	301.9547
ΔH_f, kcal/mol:	26.91
Dipole, Da:	1.37
IP(EA), eV:	-9.14(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CN1C(=CN=C1SC2=NC(=CS2)Br)CO

DOS

IR

Vibrations