Geometry & MOs

Info

ID:	82374
PubChem CID:	49855955
Reduced:	NO7C25H25 (1)
Stoich.:	AB7C25D25 (1)
Weight, g/mol:	450.179087
ΔH_f, kcal/mol:	-195.08
Dipole, Da:	7.16
IP(EA), eV:	-8.4(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-(3-amino-4-methoxyphenyl)-3-(3-hydroxyphenyl)-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(=CC=C4)O)O

DOS

IR

Vibrations