Geometry & MOs

Info

ID:	385773
PubChem CID:	134979953
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	566.241687
ΔH_f, kcal/mol:	-123.39
Dipole, Da:	3.25
IP(EA), eV:	-9.52(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[(3S)-3-[(1S,2R)-2-benzamidocyclohex-3-ene-1-carbonyl]oxy-2,2-dimethyl-5-oxopyrrolidin-1-yl]benzoate

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