Geometry & MOs

Info

ID:

219297

PubChem CID:

85098593

Reduced:

SiO5C48H56 (1)

Stoich.:

AB5C48D56 (1)

Weight, g/mol:

741.453745

ΔHf, kcal/mol:

-134.99

Dipole, Da:

3.22

IP(EA), eV:

 -8.81(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(2-acetamidohexanoylamino)-3-cyclohexylpropanoyl]-N-[1-[[1-amino-6-(diaminomethylideneamino)-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azetidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1C(C(C(C(C1=CC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations