Geometry & MOs

Info

ID:	37505
PubChem CID:	8021666
Reduced:	Cl2N3O4C16H19 (1)
Stoich.:	A2B3C4D16E19 (1)
Weight, g/mol:	261.991197
ΔH_f, kcal/mol:	-174.3
Dipole, Da:	2.24
IP(EA), eV:	-10.02(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-amino-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations