Geometry & MOs

Info

ID:

47497

PubChem CID:

10533446

Reduced:

ClNSiS4O5C39H62 (1)

Stoich.:

ABCD4E5F39G62 (1)

Weight, g/mol:

817.374551

ΔHf, kcal/mol:

-183.8

Dipole, Da:

5.9

IP(EA), eV:

 -7.84(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

C[C@H]1/C=C(/[C@H](CC(=O)N(C2=C(C(=CC(=C2)C/C(=C/C=C/[C@H](C3(C[C@@H]1OCSCCS)SCCCS3)OC)/C)OC)Cl)C)O[Si](C)(C)C(C)(C)C)\C

DOS

IR

Vibrations