Geometry & MOs

Info

ID:	49921
PubChem CID:	11538168
Reduced:	FO2N5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-28.98
Dipole, Da:	5.39
IP(EA), eV:	-8.73(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-[(S)-hydroxy-[(1R)-2-oxocyclopentyl]methyl]-3-(4-methoxyphenoxy)-1-phenylazetidin-2-one

Drug info:

PubChemData

Smile

COC1=NC2=C(C=C(C=C2)F)N=C1NC(=O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations