Geometry & MOs

Info

ID:

321203

PubChem CID:

126665207

Reduced:

SN3O3C25H41 (1)

Stoich.:

AB3C3D25E41 (1)

Weight, g/mol:

447.263425

ΔHf, kcal/mol:

-129.61

Dipole, Da:

6.69

IP(EA), eV:

 -8.33(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1-ethylbenzimidazol-2-yl)-1-[(1S,9R,13R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]-1-methylurea

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)N1CCC(CC1)CN(C)[C@@H]2[C@H]3CC4=C([C@@]2(CCN3C)C)C=C(C=C4)O

DOS

IR

Vibrations