Geometry & MOs

Info

ID:

45004

PubChem CID:

10507120

Reduced:

OSN2Cl4H20C27 (1)

Stoich.:

ABC2D4E20F27 (1)

Weight, g/mol:

562.300264

ΔHf, kcal/mol:

18.43

Dipole, Da:

4.59

IP(EA), eV:

 -8.49(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(2S)-1-[(2S)-3-[4-(methylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)C(CC(=C3)/C=C/C4=CC(=C(C=C4)Cl)Cl)(C)C)C(=O)N1C5=C(C=CC(=C5)Cl)Cl

DOS

IR

Vibrations