Geometry & MOs

Info

ID:	37504
PubChem CID:	8021662
Reduced:	Cl2N2O3C17H20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	387.075262
ΔH_f, kcal/mol:	-117.07
Dipole, Da:	0.74
IP(EA), eV:	-9.25(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCC1=CCCCC1)OC(=O)C2=CC(=C(N=C2)Cl)Cl

DOS

IR

Vibrations