Geometry & MOs

Info

ID:	32983
PubChem CID:	7849943
Reduced:	FNS2O4H16C19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	417.124609
ΔH_f, kcal/mol:	-140.57
Dipole, Da:	6.14
IP(EA), eV:	-9.46(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CSC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations