Geometry & MOs

Info

ID:

164486

PubChem CID:

74405153

Reduced:

N3O7C35H43 (1)

Stoich.:

A3B7C35D43 (1)

Weight, g/mol:

1073.565998

ΔHf, kcal/mol:

-179.99

Dipole, Da:

5.58

IP(EA), eV:

 -9.4(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-(4-benzoylphenyl)-5-benzyl-3-hydroxy-6-[[3-methyl-1-oxo-1-[[1-oxo-1-[5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentylamino]-3-phenylpropan-2-yl]amino]butan-2-yl]amino]-6-oxohexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)OC1C(C(C(OC1OCCCCCCN=[N+]=[N-])COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations