Geometry & MOs

Info

ID:	15141
PubChem CID:	430614
Reduced:	ClS2N3O6C10H10 (1)
Stoich.:	AB2C3D6E10F10 (1)
Weight, g/mol:	366.969955
ΔH_f, kcal/mol:	-205.99
Dipole, Da:	7.57
IP(EA), eV:	-10.14(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-chloro-2-hydroxy-2-oxo-9-sulfamoyl-2lambda6-thia-3,5-diazabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaen-4-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=NC(=N2)CCC(=O)O)(=O)O

DOS

IR

Vibrations