Geometry & MOs

Info

ID:

215478

PubChem CID:

85084799

Reduced:

PSiN4O10C50H65 (1)

Stoich.:

ABC4D10E50F65 (1)

Weight, g/mol:

945.463641

ΔHf, kcal/mol:

-448.63

Dipole, Da:

6.01

IP(EA), eV:

 -8.82(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]-methylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)P(=O)(OC)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC

DOS

IR

Vibrations