Geometry & MOs

Info

ID:	397011
PubChem CID:	135029596
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	229.077265
ΔH_f, kcal/mol:	102.52
Dipole, Da:	5.16
IP(EA), eV:	-8.8(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-methoxyethyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1/C(=C\C2=CC=CC=C2)/N3CC(=CC4=CC=CC=C4)C(C3=N1)[N+](=O)[O-]

DOS

IR

Vibrations