Geometry & MOs

Info

ID:

222127

PubChem CID:

85294558

Reduced:

SnSi2O3C42H86 (1)

Stoich.:

AB2C3D42E86 (1)

Weight, g/mol:

816.358173

ΔHf, kcal/mol:

-328.2

Dipole, Da:

1.52

IP(EA), eV:

 -8.69(0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[[1-methoxy-4-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1,3-benzoxazol-2-yl]-1-oxobutan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C=CC(=CC(C)C(C(C)C(C(C)CC(=CCO[Si](C)(C)C(C)(C)C)C)O[Si](C)(C)C(C)(C)C)O)C

DOS

IR

Vibrations