Geometry & MOs

Info

ID:

47209

PubChem CID:

10530640

Reduced:

ClO2S2Si2N4C22H39 (1)

Stoich.:

AB2C2D2E4F22G39 (1)

Weight, g/mol:

547.264213

ΔHf, kcal/mol:

-155.27

Dipole, Da:

5.94

IP(EA), eV:

 -8.95(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-(butoxycarbonylamino)-3-[methyl-[2-[3-[4-[(Z)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](SC(S1)N2C=NC3=C2N=CN=C3Cl)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations