Geometry & MOs

Info

ID:	62636
PubChem CID:	26732583
Reduced:	N2Cl3O4H15C20 (1)
Stoich.:	A2B3C4D15E20 (1)
Weight, g/mol:	371.088413
ΔH_f, kcal/mol:	-96.67
Dipole, Da:	5.37
IP(EA), eV:	-9.37(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-nitrobenzoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl)/C#N

DOS

IR

Vibrations