Geometry & MOs

Info

ID:

215746

PubChem CID:

85085185

Reduced:

SP2Si2N16O20C50H72 (1)

Stoich.:

AB2C2D16E20F50G72 (1)

Weight, g/mol:

1375.707077

ΔHf, kcal/mol:

-805.15

Dipole, Da:

8.97

IP(EA), eV:

 -9.05(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[1-[1-[2-[[2-amino-3-(1-hexyl-2,5-dioxopyrrolidin-3-yl)sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1C(OC(C1OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)OP(=O)(O)OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O[Si](C)(C)C(C)(C)C)O)OS(=O)(=O)CCC8=CC=C(C=C8)[N+](=O)[O-])N9C=NC1=C(N=CN=C19)N)CO

DOS

IR

Vibrations