Geometry & MOs

Info

ID:

189668

PubChem CID:

77887143

Reduced:

PC36H43 (1)

Stoich.:

AB36C43 (1)

Weight, g/mol:

836.404353

ΔHf, kcal/mol:

58.11

Dipole, Da:

2.01

IP(EA), eV:

 -8.15(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[4-[7-[2-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-1-yl]-4,5-dihydro-1H-imidazol-5-yl]-2-methyl-1-benzothiophen-4-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)P(C2CCCCC2)C(C3C=CC=C3C(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC6

DOS

IR

Vibrations