Geometry & MOs

Info

ID:	183294
PubChem CID:	77003776
Reduced:	ClSN2O3H9C13 (1)
Stoich.:	ABC2D3E9F13 (1)
Weight, g/mol:	291.133139
ΔH_f, kcal/mol:	-48.67
Dipole, Da:	4.77
IP(EA), eV:	-9.67(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole-5-carbonylamino)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)NC(=O)C=CC2=CC=C(S2)Cl)C(=O)O

DOS

IR

Vibrations