Geometry & MOs

Info

ID:	46777
PubChem CID:	10527228
Reduced:	NO5H25C27 (1)
Stoich.:	AB5C25D27 (1)
Weight, g/mol:	443.246044
ΔH_f, kcal/mol:	-138.08
Dipole, Da:	3.96
IP(EA), eV:	-9.26(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-(4-butoxyphenyl)-1-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](N(C1=O)C(=O)OC2=CC=CC=C2)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations