Geometry & MOs

Info

ID:

445381

PubChem CID:

135266657

Reduced:

NO13C30H55 (1)

Stoich.:

AB13C30D55 (1)

Weight, g/mol:

447.22704

ΔHf, kcal/mol:

-636.39

Dipole, Da:

3.29

IP(EA), eV:

 -9.84(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(6-cyanobenzimidazol-1-yl)methyl]-3-methylcyclohexyl]methyl-(6-methoxy-2-methylpyridin-3-yl)carbamic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1[C@H]([C@@H](C(C(O1)C(C)(C)OC)O)O)OC(C)(C)COC(C)(C)C2C(C([C@@H](C(O2)C(=O)NC)OC(C)(C)C)O)O

DOS

IR

Vibrations