Geometry & MOs

Info

ID:	32942
PubChem CID:	7849660
Reduced:	NS2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	364.078073
ΔH_f, kcal/mol:	-102.51
Dipole, Da:	6.41
IP(EA), eV:	-9.11(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

DOS

IR

Vibrations