Geometry & MOs

Info

ID:	392951
PubChem CID:	135018672
Reduced:	NO6C14H21 (1)
Stoich.:	AB6C14D21 (1)
Weight, g/mol:	387.189317
ΔH_f, kcal/mol:	-247.41
Dipole, Da:	1.24
IP(EA), eV:	-10.07(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2R,3S,4S)-3,4-diacetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C[C@H]2[C@H](O2)[C@H]([C@@H]1NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations