Geometry & MOs

Info

ID:	404566
PubChem CID:	135066845
Reduced:	SN2F3O6C11H11 (1)
Stoich.:	AB2C3D6E11F11 (1)
Weight, g/mol:	362.093643
ΔH_f, kcal/mol:	-293.57
Dipole, Da:	6.29
IP(EA), eV:	-10.38(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methoxy-2-[2-[(methyl-oxo-pyridin-2-yl-lambda6-sulfanylidene)amino]-2-oxoethyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=CC(=C1)[N+](=O)[O-])CCNS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations