Geometry & MOs

Info

ID:

215505

PubChem CID:

85084835

Reduced:

SSiN2O4C25H33 (2)

Stoich.:

ABC2D4E25F33 (2)

Weight, g/mol:

976.39184

ΔHf, kcal/mol:

-315.38

Dipole, Da:

1.74

IP(EA), eV:

 -8.54(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[bis[2-[[2-hydroxy-3-[2-(2-methoxyethoxy)ethoxy]phenyl]methylamino]ethyl]amino]ethylamino]methyl]-6-[2-(2-methoxyethoxy)ethoxy]phenol;gadolinium

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=C2C3=C(CC4C5(C3(CCN4C)C(O2)C(=O)C=C5)NC(=O)CSSCC(=O)NC67C=CC(=O)C8C69CCN(C7CC2=C9C(=C(C=C2)O[Si](C)(C)C(C)(C)C)O8)C)C=C1

DOS

IR

Vibrations