Geometry & MOs

Info

ID:

302346

PubChem CID:

124361351

Reduced:

NO3C12H14 (2)

Stoich.:

AB3C12D14 (2)

Weight, g/mol:

513.2475

ΔHf, kcal/mol:

-234.81

Dipole, Da:

5.91

IP(EA), eV:

 -9.39(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-3-hydroxy-2-[[(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)C

DOS

IR

Vibrations