Geometry & MOs

Info

ID:

704

PubChem CID:

3223

Reduced:

SN3O7C41H43 (1)

Stoich.:

AB3C7D41E43 (1)

Weight, g/mol:

721.282172

ΔHf, kcal/mol:

-159.92

Dipole, Da:

6.56

IP(EA), eV:

 -8.7(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxyoctanediamide

Drug info:

PubChemData

Smile

C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations