Geometry & MOs

Info

ID:

379306

PubChem CID:

134357684

Reduced:

N4O12C23H46 (1)

Stoich.:

A4B12C23D46 (1)

Weight, g/mol:

493.238828

ΔHf, kcal/mol:

-569.48

Dipole, Da:

3.49

IP(EA), eV:

 -9.5(0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[4-[4,7-difluoro-1-methyl-6-(2-oxaspiro[3.3]heptan-6-yloxy)benzimidazol-2-yl]oxycyclohexyl]oxypropan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@@H]1C(C(C(O1)OC(C(C(C)NC(=O)[C@H](CCN)O)O)C(C(C)N)OC2C(C(C(C(O2)CO)O)O)N)O)O

DOS

IR

Vibrations