Geometry & MOs

Info

ID:

17739

PubChem CID:

516015

Reduced:

N4O6C47H50 (1)

Stoich.:

A4B6C47D50 (1)

Weight, g/mol:

766.373035

ΔHf, kcal/mol:

-146.9

Dipole, Da:

3.77

IP(EA), eV:

 -9.29(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1,5-dioxo-5-(tritylamino)pentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=O)NC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations