Geometry & MOs

Info

ID:	393055
PubChem CID:	135019169
Reduced:	FSN2O2H13C19 (1)
Stoich.:	ABC2D2E13F19 (1)
Weight, g/mol:	272.104859
ΔH_f, kcal/mol:	59.1
Dipole, Da:	5.96
IP(EA), eV:	-8.82(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-benzoyl-2,5-dimethylfuran-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3[C@H]([C@H](C3=S)[N+](=O)[O-])C4=CC=CC=C4F

DOS

IR

Vibrations