Geometry & MOs

Info

ID:

158932

PubChem CID:

57244226

Reduced:

SiO2C19H40 (1)

Stoich.:

AB2C19D40 (1)

Weight, g/mol:

868.392845

ΔHf, kcal/mol:

-157.09

Dipole, Da:

0.42

IP(EA), eV:

-7.49(0.28)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

benzhydryl (2S,5S,6R,7R,8S)-2-amino-8-[[(2S)-2-[[(2R)-2-amino-3-methylsulfanylpropanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-5,6,7,9-tetrahydroxy-4-oxo-3-phenylnonanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCOCCO[Si]C(C)(C)C

DOS

IR

Vibrations