Geometry & MOs

Info

ID:

215254

PubChem CID:

85084435

Reduced:

SN5O8C41H57 (1)

Stoich.:

AB5C8D41E57 (1)

Weight, g/mol:

780.306335

ΔHf, kcal/mol:

-316.4

Dipole, Da:

8.45

IP(EA), eV:

 -8.93(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 3-[bis(phenylmethoxy)phosphorylmethyl]-1-hydroxy-4,5-bis(phenylmethoxymethoxy)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(C(CC(C)C)NC(=O)C(CCCN=C(N)NS(=O)(=O)C1=C(C(=C(C=C1C)OC)C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OCC

DOS

IR

Vibrations