Geometry & MOs

Info

ID:	372741
PubChem CID:	131303761
Reduced:	BrN2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	238.023455
ΔH_f, kcal/mol:	-98.24
Dipole, Da:	3.58
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C(C(=O)N2)(CO)N)Br

DOS

IR

Vibrations