Geometry & MOs

Info

ID:	342972
PubChem CID:	127266135
Reduced:	FSO2N3C16H24 (1)
Stoich.:	ABC2D3E16F24 (1)
Weight, g/mol:	347.095807
ΔH_f, kcal/mol:	-113.86
Dipole, Da:	2.24
IP(EA), eV:	-8.41(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-methoxy-2-(oxan-4-yl)ethanesulfonamide

Drug info:

PubChemData

Smile

CCO[C@@H]1C[C@H]([C@@H]1SC)NCCC(=O)NC2=C(C=CC(=C2)N)F

DOS

IR

Vibrations