Geometry & MOs

Info

ID:	63784
PubChem CID:	26759182
Reduced:	FS2N3O6C20H24 (1)
Stoich.:	AB2C3D6E20F24 (1)
Weight, g/mol:	409.075072
ΔH_f, kcal/mol:	-244.7
Dipole, Da:	10.47
IP(EA), eV:	-9.07(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations