Geometry & MOs

Info

ID:	37411
PubChem CID:	8020779
Reduced:	ClN2O5C13H13 (1)
Stoich.:	AB2C5D13E13 (1)
Weight, g/mol:	312.051299
ΔH_f, kcal/mol:	-105.88
Dipole, Da:	9.99
IP(EA), eV:	-9.41(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloro-3-nitroanilino)-2-oxoethyl] (1R,2S)-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