Geometry & MOs

Info

ID:	68784
PubChem CID:	46509081
Reduced:	FSO3N4H19C22 (1)
Stoich.:	ABC3D4E19F22 (1)
Weight, g/mol:	451.146487
ΔH_f, kcal/mol:	-85.11
Dipole, Da:	3.89
IP(EA), eV:	-9.17(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Drug info:

PubChemData

Smile

CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)F)CC3=CSC(=N3)N(C4=CC=CC=C4)C(=O)C

DOS

IR

Vibrations