Geometry & MOs

Info

ID:

164691

PubChem CID:

74439851

Reduced:

PSSiO2C25H29 (1)

Stoich.:

ABCD2E25F29 (1)

Weight, g/mol:

1061.499787

ΔHf, kcal/mol:

-113.58

Dipole, Da:

5.03

IP(EA), eV:

 -8.52(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[5-amino-2-[[1-[2-[[2-[[2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

C[Si](C)(C)OC1(C(CCO1)P(=S)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations