Geometry & MOs

Info

ID:	82211
PubChem CID:	49855763
Reduced:	FNO6H24C25 (1)
Stoich.:	ABC6D24E25 (1)
Weight, g/mol:	541.210052
ΔH_f, kcal/mol:	-195.67
Dipole, Da:	8.75
IP(EA), eV:	-8.36(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-(3-hydroxy-4-methoxyphenyl)-3-(4-phenylmethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2[C@H](C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)F)O

DOS

IR

Vibrations