Geometry & MOs

Info

ID:

190470

PubChem CID:

78009441

Reduced:

FON6C20H25 (1)

Stoich.:

ABC6D20E25 (1)

Weight, g/mol:

629.242495

ΔHf, kcal/mol:

-14.93

Dipole, Da:

2.84

IP(EA), eV:

 -8.27(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]azetidin-2-one

Drug info:

PubChemData

Smile

CCN1C(=O)[N+](=C2C=NC(=NC2=[N+]1C3CCCC3)NC4=C(C(=CC=C4)F)C)C

DOS

IR

Vibrations