Geometry & MOs

Info

ID:

215360

PubChem CID:

85084603

Reduced:

PSiS2N4O6C43H47 (1)

Stoich.:

ABC2D4E6F43G47 (1)

Weight, g/mol:

840.365384

ΔHf, kcal/mol:

-140.0

Dipole, Da:

2.11

IP(EA), eV:

 -8.35(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[1-[[1-[[3-carboxy-1-[[1-(1-carboxyethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C1C(N(C1=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)OC)C(CC#N)C(CSC6=NN=CS6)O)O[Si](C)(C)C

DOS

IR

Vibrations