Geometry & MOs

Info

ID:

82212

PubChem CID:

49855764

Reduced:

NO7H31C32 (1)

Stoich.:

AB7C31D32 (1)

Weight, g/mol:

584.215866

ΔHf, kcal/mol:

-160.55

Dipole, Da:

3.5

IP(EA), eV:

 -8.32(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[4-[(2S,3R)-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-1-(3,4,5-trimethoxyphenyl)azetidin-3-yl]phenyl]carbamate

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)O

DOS

IR

Vibrations