Geometry & MOs

Info

ID:	37451
PubChem CID:	8021248
Reduced:	FNSO5H20C21 (1)
Stoich.:	ABCD5E20F21 (1)
Weight, g/mol:	415.088972
ΔH_f, kcal/mol:	-192.26
Dipole, Da:	5.79
IP(EA), eV:	-9.96(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N(C2=CC=CC=C2)C(=O)COC(=O)/C=C/C3=CC(=CC=C3)F

DOS

IR

Vibrations