Geometry & MOs

Info

ID:

164293

PubChem CID:

74382774

Reduced:

SiF3N15O24C82H134 (1)

Stoich.:

AB3C15D24E82F134 (1)

Weight, g/mol:

1683.951888

ΔHf, kcal/mol:

-1363.64

Dipole, Da:

9.08

IP(EA), eV:

 -9.48(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-trimethylsilylethyl 3-[2-[[4-amino-2-[[2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxy-4-oxobutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]oxy-2-[[4-methyl-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)O)C(=O)NCC(=O)NC(C(C(=O)N)O)C(=O)NC(COC(C)(C)C)C(=O)OC(C1=CC=CC=C1)C(C(=O)OCC[Si](C)(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C(C(C)C)O)NC(=O)OC(C)(C)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations