Geometry & MOs

Info

ID:	183372
PubChem CID:	77012648
Reduced:	SO3N5C12H25 (1)
Stoich.:	AB3C5D12E25 (1)
Weight, g/mol:	262.058971
ΔH_f, kcal/mol:	-91.75
Dipole, Da:	3.12
IP(EA), eV:	-8.77(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-oxo-8aH-isoquinoline-3-carbonyl)amino]oxyacetic acid

Drug info:

PubChemData

Smile

CC(C)(C(=NO)N)N1CCN(CC1)S(=O)(=O)N2CCCC2

DOS

IR

Vibrations