Geometry & MOs

Info

ID:

328135

PubChem CID:

126692199

Reduced:

N2F3O3H16C18 (2)

Stoich.:

A2B3C3D16E18 (2)

Weight, g/mol:

420.216141

ΔHf, kcal/mol:

-451.95

Dipole, Da:

11.22

IP(EA), eV:

 -9.03(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(cyclohexyl-hydroxy-pyridin-2-ylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3,3a,4-tetrahydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CC1[C@H](OC(=O)N1CC2=NC(=NC=C2C3=C(C=CC(=C3)C4=C(C=C(C=C4)C(=O)O)C)OC)N5CC(C5)OC)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations