Geometry & MOs

Info

ID:

215143

PubChem CID:

85084248

Reduced:

NO11C41H41 (1)

Stoich.:

AB11C41D41 (1)

Weight, g/mol:

724.335981

ΔHf, kcal/mol:

-365.61

Dipole, Da:

5.2

IP(EA), eV:

 -8.63(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(hydroxymethyl)-4-methyl-2-[[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-5,6-diol

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NCC6=CC(=CC=C6)OCC7=CC=CC=C7)O

DOS

IR

Vibrations