Geometry & MOs

Info

ID:	135493
PubChem CID:	51880500
Reduced:	Cl2N3O5H19C21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	374.146427
ΔH_f, kcal/mol:	-165.71
Dipole, Da:	3.27
IP(EA), eV:	-8.53(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(2-ethylanilino)-2-oxoethyl]-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC(=O)NC2=CC3=C(C=C2)OCCCO3)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations