Geometry & MOs

Info

ID:

309296

PubChem CID:

126542908

Reduced:

BrN2O2C14H23 (1)

Stoich.:

AB2C2D14E23 (1)

Weight, g/mol:

844.373053

ΔHf, kcal/mol:

-113.15

Dipole, Da:

3.2

IP(EA), eV:

 -9.1(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[(2S)-2-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]dibenzothiophen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C/C=C(\N=C(/C)\[C@@H]1CCCN1C(=O)OC(C)(C)C)/Br

DOS

IR

Vibrations