Geometry & MOs

Info

ID:	404449
PubChem CID:	135066308
Reduced:	N2S2O4H20C21 (1)
Stoich.:	A2B2C4D20E21 (1)
Weight, g/mol:	444.081364
ΔH_f, kcal/mol:	-53.97
Dipole, Da:	5.02
IP(EA), eV:	-9.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl (E)-2-[2-[[methyl(pyridin-2-ylsulfonyl)amino]methyl]phenyl]ethenesulfonate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1/C=C/S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=N3

DOS

IR

Vibrations