Geometry & MOs

Info

ID:	82529
PubChem CID:	49856141
Reduced:	N2O6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	449.195071
ΔH_f, kcal/mol:	-151.31
Dipole, Da:	6.5
IP(EA), eV:	-8.29(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-(3-amino-4-methoxyphenyl)-3-(4-aminophenyl)-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)N)O

DOS

IR

Vibrations