Geometry & MOs

Info

ID:

325818

PubChem CID:

126685109

Reduced:

N3H41C59 (1)

Stoich.:

A3B41C59 (1)

Weight, g/mol:

408.133966

ΔHf, kcal/mol:

225.12

Dipole, Da:

2.46

IP(EA), eV:

 -7.96(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-5-(1,2-dihydroxyethyl)oxolane-2,4-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)C6C7=C(C5C8=C6C=C9C1=CC=CC=C1N(C9=C8)C1=CC=C(C=C1)C)C=C1C(=C7)C2=CC=CC=C2N1C1=CC=C(C=C1)C

DOS

IR

Vibrations