Geometry & MOs

Info

ID:	328329
PubChem CID:	126700727
Reduced:	FSO4N8C25H27 (1)
Stoich.:	ABC4D8E25F27 (1)
Weight, g/mol:	241.131408
ΔH_f, kcal/mol:	-72.64
Dipole, Da:	5.6
IP(EA), eV:	-8.96(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2E)-cyclooct-2-en-1-yl]oxycarbonyl-methylamino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(CN1C2=NC(=NC=C2N=C(C1=O)NCC3=NC=C(C=C3)S(=O)(=O)C)C4=C(N=CN=C4OC)C5CC5)F

DOS

IR

Vibrations