Geometry & MOs

Info

ID:	37497
PubChem CID:	8021594
Reduced:	Cl2N2O3C15H18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	396.027977
ΔH_f, kcal/mol:	-129.1
Dipole, Da:	1.27
IP(EA), eV:	-9.87(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations