Geometry & MOs

Info

ID:

215332

PubChem CID:

85084558

Reduced:

SSi2N5O13C33H57 (1)

Stoich.:

AB2C5D13E33F57 (1)

Weight, g/mol:

816.434132

ΔHf, kcal/mol:

-681.26

Dipole, Da:

6.03

IP(EA), eV:

 -8.75(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[1-[[4-[[1-carboxy-4-(methylamino)-4-oxobutyl]amino]-1-hydroxy-3-methyl-4-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-[[2-[2-[(2-hydroxyacetyl)amino]propanoylamino]-4-methylhexanoyl]amino]-3-methyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)N3CCC(=O)N(C3=O)CN4C(=O)CCN(C4=O)C5CC(C(O5)CO)O)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N

DOS

IR

Vibrations