Geometry & MOs

Info

ID:	37408
PubChem CID:	8020753
Reduced:	NO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	312.051299
ΔH_f, kcal/mol:	-143.38
Dipole, Da:	1.7
IP(EA), eV:	-9.6(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloro-2-nitroanilino)-2-oxoethyl] (1R,2S)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]1C(=O)OCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)C

DOS

IR

Vibrations