Geometry & MOs

Info

ID:

325221

PubChem CID:

126682104

Reduced:

FSO2N4C24H27 (1)

Stoich.:

ABC2D4E24F27 (1)

Weight, g/mol:

447.263425

ΔHf, kcal/mol:

-61.37

Dipole, Da:

6.39

IP(EA), eV:

 -8.91(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1-ethylbenzimidazol-2-yl)-1-[(1R,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

C[C@]12CCN([C@@H]([C@@H]1N(C)CC(=O)NC3=NC4=C(S3)C=C(C=C4)F)CC5=C2C=C(C=C5)O)C

DOS

IR

Vibrations