Geometry & MOs

Info

ID:

315258

PubChem CID:

126625287

Reduced:

NO4C21H22 (2)

Stoich.:

AB4C21D22 (2)

Weight, g/mol:

486.131468

ΔHf, kcal/mol:

-252.15

Dipole, Da:

3.38

IP(EA), eV:

 -8.93(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-hydroxy-2-[3-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)-2-phenylacetyl]oxyphenyl]-2-(3-hydroxyphenyl)acetic acid

Drug info:

PubChemData

Smile

C1CN2CCC1[C@H](C2)OC(=O)[C@](C3=CC(=CC=C3)O)(C4=CC=CC(=C4)C5CN6CCC5[C@H](C6)OC(=O)[C@](C7=CC=CC=C7)(C8=CC(=CC=C8)O)O)O

DOS

IR

Vibrations