Geometry & MOs

Info

ID:

45214

PubChem CID:

10509563

Reduced:

ClN3O3C21H23 (2)

Stoich.:

AB3C3D21E23 (2)

Weight, g/mol:

807.384328

ΔHf, kcal/mol:

-166.27

Dipole, Da:

9.62

IP(EA), eV:

 -8.2(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-phenylbutyl]amino]-3-phenylpropanoyl]amino]-4-oxo-4-(phenylmethoxyamino)butanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N(CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)CCCNC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC

DOS

IR

Vibrations