Geometry & MOs

Info

ID:	32420
PubChem CID:	7805647
Reduced:	FSO2N3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	328.089306
ΔH_f, kcal/mol:	-41.17
Dipole, Da:	8.74
IP(EA), eV:	-8.85(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(dimethylamino)-2-oxoethyl] 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)N(C)CC3=CC=C(C=C3)F)C

DOS

IR

Vibrations