Geometry & MOs

Info

ID:

214812

PubChem CID:

85083684

Reduced:

PSiO8C31H55 (1)

Stoich.:

ABC8D31E55 (1)

Weight, g/mol:

614.361425

ΔHf, kcal/mol:

-488.36

Dipole, Da:

3.33

IP(EA), eV:

 -8.69(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-aminoethylsulfanyl)-1-(2-cyclohexylethylamino)-1-oxopropan-2-yl]-3-hydroxy-2-[[2-[4-[4-(2-methylimidazol-1-yl)butyl]phenyl]acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CCCCCC(=O)OCC(COP(OCCO[Si](C)(C)C(C)(C)C(C)C)OC1=CC=CC=C1)OC(=O)CCCCC

DOS

IR

Vibrations