Geometry & MOs

Info

ID:	54018
PubChem CID:	14719542
Reduced:	ClN3O7C27H34 (1)
Stoich.:	AB3C7D27E34 (1)
Weight, g/mol:	265.057278
ΔH_f, kcal/mol:	-300.05
Dipole, Da:	3.81
IP(EA), eV:	-8.81(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-7-yl)benzene-1,2-diol

Drug info:

PubChemData

Smile

CCNC(=O)OC1=C(C(=C2CCN(C[C@@H](C2=C1)C3=CC=C(C=C3)O)C(=O)OC(C)(C)C)Cl)OC(=O)NCC

DOS

IR

Vibrations