Geometry & MOs

Info

ID:

310501

PubChem CID:

126580944

Reduced:

O19C31H50 (1)

Stoich.:

A19B31C50 (1)

Weight, g/mol:

790.416631

ΔHf, kcal/mol:

-785.0

Dipole, Da:

6.1

IP(EA), eV:

 -9.62(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[(2S,5S)-2-[5-[4-[6-[2-[(2S,5S)-1-[2-(methoxycarbonylamino)acetyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C=CC(=O)OCC(COCC(COCC(COCC(COCC(COC=O)O)OCC(COC(=O)C=C)O)OCC(COC(=O)C=C)O)O)O

DOS

IR

Vibrations