Geometry & MOs

Info

ID:	224352
PubChem CID:	85342053
Reduced:	NO8C17H19 (1)
Stoich.:	AB8C17D19 (1)
Weight, g/mol:	365.162708
ΔH_f, kcal/mol:	-313.57
Dipole, Da:	3.48
IP(EA), eV:	-9.5(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1(OC2COC3(CN(C(=O)O3)C(=O)OC4=CC=CC=C4)C(C2O1)O)C

DOS

IR

Vibrations