Geometry & MOs

Info

ID:

144639

PubChem CID:

53390959

Reduced:

SiF2O6N8C46H56 (1)

Stoich.:

AB2C6D8E46F56 (1)

Weight, g/mol:

559.279469

ΔHf, kcal/mol:

-325.97

Dipole, Da:

2.84

IP(EA), eV:

 -8.46(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(2S)-1-[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C2=NC3=C(N2)C=CC4=C3C=CC(=C4)C5=C(C=C(C=C5)C6=CN=C(N6)[C@@H]7CC8C[Si](CC8N7C(=O)[C@H](C(C)C)NC(=O)OC)(C)C)F)F)NC(=O)OC

DOS

IR

Vibrations