Geometry & MOs

Info

ID:	81939
PubChem CID:	49855374
Reduced:	NCl2O5H23C25 (1)
Stoich.:	AB2C5D23E25 (1)
Weight, g/mol:	455.154429
ΔH_f, kcal/mol:	-122.46
Dipole, Da:	3.48
IP(EA), eV:	-8.39(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations