Geometry & MOs

Info

ID:	51922
PubChem CID:	12014691
Reduced:	CrNO6H31C35 (1)
Stoich.:	ABC6D31E35 (1)
Weight, g/mol:	471.183444
ΔH_f, kcal/mol:	-97.18
Dipole, Da:	4.95
IP(EA), eV:	-7.53(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-(3-methoxy-2-naphthalen-1-ylphenyl)-3-phenoxy-1-phenylazetidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1C2=CC=CC3=CC=CC=C32)[C@H]4[C@@H](C(=O)N4C5=CC=CC=C5)OC6=CC=CC=C6.C=O.C=O.C=O.[Cr]

DOS

IR

Vibrations