Geometry & MOs

Info

ID:	222443
PubChem CID:	85300747
Reduced:	NO4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	329.220223
ΔH_f, kcal/mol:	-83.02
Dipole, Da:	4.65
IP(EA), eV:	-9.09(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Drug info:

PubChemData

Smile

CC1C2C(C([N+]1(CC3=CC=CC=C3)[O-])C4=CC=CO4)OC(O2)(C)C

DOS

IR

Vibrations