Geometry & MOs

Info

ID:

383508

PubChem CID:

134975264

Reduced:

N4O5C35H43 (1)

Stoich.:

A4B5C35D43 (1)

Weight, g/mol:

598.31552

ΔHf, kcal/mol:

-118.28

Dipole, Da:

4.92

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757783

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-3-(3-methyl-1-trityl-2H-imidazol-4-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC(=O)N[C@@H](CC1=CN(C[NH+]1C)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations