Geometry & MOs

Info

ID:	61034
PubChem CID:	26704562
Reduced:	ClFO4H12C19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	382.060801
ΔH_f, kcal/mol:	-155.53
Dipole, Da:	3.89
IP(EA), eV:	-9.22(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) (2S)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OC(=O)C4=C(C=CC(=C4)Cl)F

DOS

IR

Vibrations