Geometry & MOs

Info

ID:	37478
PubChem CID:	8021484
Reduced:	Cl2N2O5H14C17 (1)
Stoich.:	A2B2C5D14E17 (1)
Weight, g/mol:	399.075262
ΔH_f, kcal/mol:	-150.95
Dipole, Da:	2.02
IP(EA), eV:	-8.52(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC(=C(N=C3)Cl)Cl)OC1

DOS

IR

Vibrations