Geometry & MOs

Info

ID:	194058
PubChem CID:	78475021
Reduced:	SN2O2C21H36 (1)
Stoich.:	AB2C2D21E36 (1)
Weight, g/mol:	367.04452
ΔH_f, kcal/mol:	-87.69
Dipole, Da:	6.38
IP(EA), eV:	-8.58(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)CC(CS(=O)(=O)C2=CC=CC=C2)[NH+]3CCC(CC3)C

DOS

IR

Vibrations