Geometry & MOs

Info

ID:	343696
PubChem CID:	127266872
Reduced:	SO3N4C15H20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-67.81
Dipole, Da:	2.95
IP(EA), eV:	-9.4(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[[4-(pyridin-4-ylamino)phenyl]methyl]ethanesulfonamide

Drug info:

PubChemData

Smile

COC1=NC=NC(=C1)NCCCNS(=O)(=O)CC2=CC=CC=C2

DOS

IR

Vibrations