Geometry & MOs

Info

ID:

186075

PubChem CID:

77386914

Reduced:

ClF2O7C43H43 (1)

Stoich.:

AB2C7D43E43 (1)

Weight, g/mol:

774.277102

ΔHf, kcal/mol:

-275.19

Dipole, Da:

2.41

IP(EA), eV:

 -8.99(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[4-chloro-3-[(4-ethoxy-2,3-difluorophenyl)methyl]phenyl]-2-(hydroxymethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol

Drug info:

PubChemData

Smile

CCOC1=C(C(=C(C=C1)CC2=C(C=CC(=C2)C3(C(C(C(C(O3)CO)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC)Cl)F)F

DOS

IR

Vibrations