Geometry & MOs

Info

ID:

162770

PubChem CID:

57567962

Reduced:

FH15C28 (2)

Stoich.:

AB15C28 (2)

Weight, g/mol:

651.381596

ΔHf, kcal/mol:

156.56

Dipole, Da:

2.98

IP(EA), eV:

 -8.18(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[3-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-oxopropyl]-2-[[2-(4-ditert-butylsilylphenyl)acetyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C5=C6C7=C(C=C5)C8=C(C7=CC(=C6C9=C4C1=C(C=C9)C2=C(C1=C3)C=CC=C2F)C1=CC=C(C=C1)C1=CC=CC=C1)C(=CC=C8)F

DOS

IR

Vibrations