Geometry & MOs

Info

ID:	245309
PubChem CID:	99443276
Reduced:	SF2N3O6C19H19 (1)
Stoich.:	AB2C3D6E19F19 (1)
Weight, g/mol:	482.219906
ΔH_f, kcal/mol:	-202.31
Dipole, Da:	7.74
IP(EA), eV:	-9.53(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 5-[[4-[2-(diethylamino)-2-oxoethyl]piperazine-1-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)F)F)[N+](=O)[O-]

DOS

IR

Vibrations