Geometry & MOs

Info

ID:

230534

PubChem CID:

87571273

Reduced:

S3N6O14C58H60 (1)

Stoich.:

A3B6C14D58E60 (1)

Weight, g/mol:

1016.419436

ΔHf, kcal/mol:

-355.47

Dipole, Da:

8.08

IP(EA), eV:

 -8.55(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-(oxiran-2-ylmethoxy)-2-[3,5,7-tris[2,5-bis(oxiran-2-ylmethoxy)phenyl]-1-adamantyl]phenoxy]methyl]oxirane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC(COC(=O)C)OC2=CC=C(C=C2)C[C@@H](C(=O)OC)NC(=O)C(C(C)C)N3C=C(N=N3)COC4=CC5=C(C=C4)N=C(S5)S(=O)(=O)NC(C6=CC=CC=C6)(C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC

DOS

IR

Vibrations