Geometry & MOs

Info

ID:

329062

PubChem CID:

126730927

Reduced:

O4C25H36 (1)

Stoich.:

A4B25C36 (1)

Weight, g/mol:

1040.560955

ΔHf, kcal/mol:

-173.64

Dipole, Da:

3.52

IP(EA), eV:

 -8.52(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(aminomethyl)-N-[[4-[3-[6-ethyl-2-(2-hydroxyphenyl)-1,3-dioxan-4-yl]propyl]-6-[2-hydroxy-5-[6-[4-hydroxy-5-[(6S)-2-(2-hydroxyphenyl)-6-methyl-1,3-dioxan-4-yl]pentyl]-2-(2-hydroxyphenyl)-1,3-dioxan-4-yl]pentyl]-1,3-dioxan-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(CCO)OC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OC(C)(C)COC

DOS

IR

Vibrations