Geometry & MOs

Info

ID:

215215

PubChem CID:

85084376

Reduced:

N4O5C18H28 (2)

Stoich.:

A4B5C18D28 (2)

Weight, g/mol:

760.302967

ΔHf, kcal/mol:

-496.69

Dipole, Da:

9.31

IP(EA), eV:

 -9.0(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2,3,4,5,6-pentahydroxycyclohexyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]thiourea

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2

DOS

IR

Vibrations