Geometry & MOs

Info

ID:	82210
PubChem CID:	49855762
Reduced:	NSiO6C31H39 (1)
Stoich.:	ABC6D31E39 (1)
Weight, g/mol:	453.158766
ΔH_f, kcal/mol:	-214.75
Dipole, Da:	5.0
IP(EA), eV:	-8.29(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=C(C=CC(=C1)[C@@H]2[C@H](C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4)OC

DOS

IR

Vibrations