Geometry & MOs

Info

ID:

164292

PubChem CID:

74382769

Reduced:

N2O3C22H30 (1)

Stoich.:

A2B3C22D30 (1)

Weight, g/mol:

1797.944751

ΔHf, kcal/mol:

-96.15

Dipole, Da:

5.77

IP(EA), eV:

-8.41(-0.37)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2,2,2-trifluoroacetic acid;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

CCN(CC)C(CC1=CC=CC=C1)COC(=O)C2=CC(=C(C=C2)N)OCC

DOS

IR

Vibrations