Geometry & MOs

Info

ID:	63789
PubChem CID:	26759191
Reduced:	ClSN2O5C19H21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	381.06017
ΔH_f, kcal/mol:	-161.56
Dipole, Da:	7.03
IP(EA), eV:	-9.24(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)COC3=CC(=CC=C3)Cl

DOS

IR

Vibrations