Geometry & MOs

Info

ID:	160402
PubChem CID:	57309750
Reduced:	ClO3N6C27H29 (1)
Stoich.:	AB3C6D27E29 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-22.13
Dipole, Da:	4.83
IP(EA), eV:	-8.45(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(3-hydroxyazetidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC([C@@H](C1=CC=C(C=C1)Cl)O)N2C(=O)N(C=N2)C3=CN=C(C=C3)N4CCN(CC4)C5=CC(=CC=C5)O

DOS

IR

Vibrations