Geometry & MOs

Info

ID:	37454
PubChem CID:	8021287
Reduced:	FSN2O4C21H21 (1)
Stoich.:	ABC2D4E21F21 (1)
Weight, g/mol:	341.073322
ΔH_f, kcal/mol:	-180.28
Dipole, Da:	2.61
IP(EA), eV:	-8.56(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] (E)-3-(3-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)/C=C/C3=CC(=CC=C3)F

DOS

IR

Vibrations