Geometry & MOs

Info

ID:	79706
PubChem CID:	49830044
Reduced:	ClON3C23H40 (1)
Stoich.:	ABC3D23E40 (1)
Weight, g/mol:	414.075981
ΔH_f, kcal/mol:	-40.94
Dipole, Da:	6.35
IP(EA), eV:	-7.01(0.44)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[5-cyano-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridin-3-ylidene]methylamino]benzoate

Drug info:

PubChemData

Smile

CC(C)[NH+](CC[C@@](CC[NH+]1CCCCC1)(C2=CC=CC=C2Cl)C(=O)N)C(C)C

DOS

IR

Vibrations