Geometry & MOs

Info

ID:

185698

PubChem CID:

77334973

Reduced:

N2O11C43H52 (1)

Stoich.:

A2B11C43D52 (1)

Weight, g/mol:

869.458831

ΔHf, kcal/mol:

-373.49

Dipole, Da:

7.19

IP(EA), eV:

 -9.46(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[4-cyano-1-[6-[5-[6-[4-[2-[1-[ethyl-[2-(methoxycarbonylamino)-3-methylbutanoyl]amino]-2-methylbutyl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C(C(C(O2)OCCOCCNC(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCCOCCNC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations