Geometry & MOs

Info

ID:	48605
PubChem CID:	11109910
Reduced:	NSO6C13H19 (1)
Stoich.:	ABC6D13E19 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-218.47
Dipole, Da:	5.64
IP(EA), eV:	-8.31(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-2-en-1-yl] benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N([C@@H]2[C@H]([S@]1=O)CCCO2)OC(=O)C)C

DOS

IR

Vibrations