Geometry & MOs

Info

ID:	137946
PubChem CID:	52289163
Reduced:	SF3N4O5C18H28 (1)
Stoich.:	AB3C4D5E18F28 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-250.43
Dipole, Da:	10.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752146
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CCCOCC(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations