Geometry & MOs

Info

ID:	203556
PubChem CID:	79845353
Reduced:	FON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	335.086115
ΔH_f, kcal/mol:	-10.21
Dipole, Da:	1.29
IP(EA), eV:	-9.52(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-N,2,3-trimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)CC3(CCC3)N)F

DOS

IR

Vibrations