Geometry & MOs

Info

ID:

177037

PubChem CID:

76128053

Reduced:

NSiO9C41H71 (1)

Stoich.:

ABC9D41E71 (1)

Weight, g/mol:

655.249826

ΔHf, kcal/mol:

-506.47

Dipole, Da:

1.78

IP(EA), eV:

 -9.21(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[1-[[1-[[3,3-dimethyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-6-(1,3-dioxoisoindol-2-yl)-1-oxohexan-2-yl] ethanethioate

Drug info:

PubChemData

Smile

CCC1C(C(C(C(O1)OC2C(C(C(OC2CC)OCC[Si](C)(C)C)C)C)C)OC3C(C(C(C(O3)CC)O)O)NC(=O)C4=CC=C(C=C4)C(C)(C)C)C

DOS

IR

Vibrations