Geometry & MOs

Info

ID:	36560
PubChem CID:	8008798
Reduced:	ClOSN3C21H25 (1)
Stoich.:	ABCD3E21F25 (1)
Weight, g/mol:	319.087829
ΔH_f, kcal/mol:	19.56
Dipole, Da:	10.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.903442
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-methylsulfonylphenyl)-2-phenoxypropanamide

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)CC2=NC(=C3C(=C(SC3=N2)C)C)OC4=CC=CC=C4Cl

DOS

IR

Vibrations