Geometry & MOs

Info

ID:	372392
PubChem CID:	131296858
Reduced:	BrN2O2C7H7 (1)
Stoich.:	AB2C2D7E7 (1)
Weight, g/mol:	228.986735
ΔH_f, kcal/mol:	-39.11
Dipole, Da:	3.14
IP(EA), eV:	-10.27(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-hydroxy-3-methylthieno[2,3-c][1,2]thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N=N1)Br)C(=O)OC

DOS

IR

Vibrations