Geometry & MOs

Info

ID:

381055

PubChem CID:

134971682

Reduced:

NO4C22H27 (1)

Stoich.:

AB4C22D27 (1)

Weight, g/mol:

705.50405

ΔHf, kcal/mol:

-129.0

Dipole, Da:

4.39

IP(EA), eV:

 -9.4(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3-[[(2S)-2-(butanoylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoyl]amino]propyl]-N-[3-[4-(methylamino)butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H]([C@@H](OC1=O)CO)OCC2=CC=CC=C2)N[C@H](C)C3=CC=CC=C3

DOS

IR

Vibrations