Geometry & MOs

Info

ID:	82080
PubChem CID:	49855572
Reduced:	NO4H15C16 (2)
Stoich.:	AB4C15D16 (2)
Weight, g/mol:	419.173273
ΔH_f, kcal/mol:	-122.16
Dipole, Da:	8.76
IP(EA), eV:	-8.35(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-(4-methoxyphenyl)-3-phenyl-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)OCC5=CC=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations