Geometry & MOs

Info

ID:	45482
PubChem CID:	10514049
Reduced:	ClNOF3H7C9 (1)
Stoich.:	ABCD3E7F9 (1)
Weight, g/mol:	238.084124
ΔH_f, kcal/mol:	-200.48
Dipole, Da:	7.56
IP(EA), eV:	-9.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3aS,3bR,6aR,7aS)-1,5-dioxo-3a,4,6,6a,7,7a-hexahydro-3H-pentaleno[1,2-c]furan-3b-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)C(F)(F)F)Cl

DOS

IR

Vibrations