Geometry & MOs

Info

ID:	37412
PubChem CID:	8020780
Reduced:	ClN2O5C13H13 (1)
Stoich.:	AB2C5D13E13 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-105.35
Dipole, Da:	8.25
IP(EA), eV:	-9.45(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]1C(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations