Geometry & MOs

Info

ID:

186388

PubChem CID:

77426219

Reduced:

FSN5O14C34H54 (1)

Stoich.:

ABC5D14E34F54 (1)

Weight, g/mol:

498.237939

ΔHf, kcal/mol:

-677.88

Dipole, Da:

4.72

IP(EA), eV:

 -8.65(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(6-methyl-2-oxo-4-propyl-3H-pyridin-3-yl)methyl]-6-(2-oxo-3,5-dihydrobenzimidazol-5-yl)-1-propan-2-ylindazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(C)NC(CSCC1C(CC(CO1)O)OC2C(CC(C(O2)CO)O)O)C(=O)NCCC(=O)OCC(=O)OCC3CC(C(O3)N4C=CC(=NC4=O)N)F

DOS

IR

Vibrations