Geometry & MOs

Info

ID:	375234
PubChem CID:	131480996
Reduced:	NSO3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	301.93608
ΔH_f, kcal/mol:	-107.85
Dipole, Da:	4.16
IP(EA), eV:	-10.06(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-bromothiophen-2-yl)-4-hydroxypyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C2=C([C@H]1N)C=C(C=C2)CO

DOS

IR

Vibrations