Geometry & MOs

Info

ID:	411253
PubChem CID:	135084066
Reduced:	ClNSF3H7C12 (1)
Stoich.:	ABCD3E7F12 (1)
Weight, g/mol:	215.993784
ΔH_f, kcal/mol:	-89.66
Dipole, Da:	1.87
IP(EA), eV:	-9.25(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-7-nitro-3,5-dihydro-2H-furo[3,2-c]pyridin-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=CS2)N=C(C(F)(F)F)Cl

DOS

IR

Vibrations