Geometry & MOs

Info

ID:	33716
PubChem CID:	7887698
Reduced:	OS2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	310.0965
ΔH_f, kcal/mol:	4.18
Dipole, Da:	4.96
IP(EA), eV:	-8.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)S[C@@H](C)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations