Geometry & MOs

Info

ID:	37480
PubChem CID:	8021498
Reduced:	Cl2N3O4H9C10 (1)
Stoich.:	A2B3C4D9E10 (1)
Weight, g/mol:	382.012327
ΔH_f, kcal/mol:	-122.18
Dipole, Da:	1.6
IP(EA), eV:	-9.41(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NNC(=O)COC(=O)C1=CC(=C(N=C1)Cl)Cl

DOS

IR

Vibrations