Geometry & MOs

Info

ID:	149019
PubChem CID:	53788690
Reduced:	SN5O6C10H11 (1)
Stoich.:	AB5C6D10E11 (1)
Weight, g/mol:	404.0445
ΔH_f, kcal/mol:	-174.34
Dipole, Da:	4.59
IP(EA), eV:	-9.52(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxypropyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OS(=O)(=O)O4)N

DOS

IR

Vibrations