Geometry & MOs

Info

ID:	37372
PubChem CID:	8020290
Reduced:	ClNO3C19H31 (1)
Stoich.:	ABC3D19E31 (1)
Weight, g/mol:	325.03136
ΔH_f, kcal/mol:	-122.59
Dipole, Da:	4.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755095
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@H]1C)[NH2+]C[C@@H](COCCOC2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations