Geometry & MOs

Info

ID:

219693

PubChem CID:

85164557

Reduced:

ClSSiN3O7C23H36 (1)

Stoich.:

ABCD3E7F23G36 (1)

Weight, g/mol:

562.300264

ΔHf, kcal/mol:

-319.85

Dipole, Da:

4.02

IP(EA), eV:

 -8.9(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[1-[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

CC(C1C(N(C1=O)C(C(=O)OCC=C)Cl)CC(=O)C2=CN(C(=N2)S(=O)(=O)C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations