Geometry & MOs

Info

ID:	385772
PubChem CID:	134979952
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	-127.41
Dipole, Da:	3.25
IP(EA), eV:	-9.5(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,2R)-1-phenyl-2-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1(CCC=C[C@@H]1NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations