Geometry & MOs

Info

ID:

431006

PubChem CID:

135171076

Reduced:

FN4O4C29H35 (1)

Stoich.:

AB4C4D29E35 (1)

Weight, g/mol:

522.264234

ΔHf, kcal/mol:

-183.02

Dipole, Da:

3.55

IP(EA), eV:

 -9.37(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(3S,5R)-5-[1H-benzimidazole-2-carbonyl(ethyl)amino]oxan-3-yl]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate

Drug info:

PubChemData

Smile

CCN(C1CC(COC1)N([C@@H]2CCC3=C2C=CC(=C3)F)C(=O)OC(C)(C)C)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations