Geometry & MOs

Info

ID:	82213
PubChem CID:	49855765
Reduced:	N2O8H32C33 (1)
Stoich.:	A2B8C32D33 (1)
Weight, g/mol:	435.168188
ΔH_f, kcal/mol:	-211.22
Dipole, Da:	5.75
IP(EA), eV:	-8.36(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-(3-hydroxyphenyl)-4-(4-methoxyphenyl)-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)NC(=O)OCC5=CC=CC=C5)O

DOS

IR

Vibrations