Geometry & MOs

Info

ID:	149086
PubChem CID:	53788757
Reduced:	C7H10 (3)
Stoich.:	A7B10 (3)
Weight, g/mol:	415.042296
ΔH_f, kcal/mol:	-30.16
Dipole, Da:	0.55
IP(EA), eV:	-9.18(0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 3-(acetyloxymethyl)-5,5,8-trioxo-1-[(2,2,2-trifluoroacetyl)amino]-5lambda6-thia-1-azoniabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC(C1C2CC3CC(C2)CC1C3)C4=CC=CC=C4

DOS

IR

Vibrations