Geometry & MOs

Info

ID:	147502
PubChem CID:	53787158
Reduced:	N2H17C22 (2)
Stoich.:	A2B17C22 (2)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	214.46
Dipole, Da:	1.14
IP(EA), eV:	-7.63(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R,3R)-1-[(2,4-dimethylphenyl)methyl]-2-(hydroxymethyl)-4-oxoazetidin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=C(N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C1N2)C6=CC=CC=C6)C7=CC=CC=C7)N4)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations