Geometry & MOs

Info

ID:	336915
PubChem CID:	127255922
Reduced:	BrClON3C8H13 (1)
Stoich.:	ABCD3E8F13 (1)
Weight, g/mol:	348.099122
ΔH_f, kcal/mol:	-40.33
Dipole, Da:	4.94
IP(EA), eV:	-9.67(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(E)-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]benzenesulfonamide

Drug info:

PubChemData

Smile

CN(C)CCOC1=CN=C(C=N1)Br.Cl

DOS

IR

Vibrations