Geometry & MOs

Info

ID:	37376
PubChem CID:	8020330
Reduced:	NCl2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-117.63
Dipole, Da:	3.61
IP(EA), eV:	-9.17(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]1C(=O)O[C@@H](C)C(=O)NC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations