Geometry & MOs

Info

ID:

190175

PubChem CID:

77963074

Reduced:

SN2O3C26H34 (1)

Stoich.:

AB2C3D26E34 (1)

Weight, g/mol:

879.447203

ΔHf, kcal/mol:

-105.38

Dipole, Da:

1.61

IP(EA), eV:

 -8.55(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 2-[1-(2-cyclohexa-1,3-dien-1-yl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-4-[4-[4-[2-[1-(2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC1=CC=C(C=C1)N2C(CCC2=O)C=CCC3=CC=C(S3)C(=O)OCCN

DOS

IR

Vibrations