Geometry & MOs

Info

ID:	441473
PubChem CID:	135235172
Reduced:	FPN2O4H34C37 (1)
Stoich.:	ABC2D4E34F37 (1)
Weight, g/mol:	236.13472
ΔH_f, kcal/mol:	-92.55
Dipole, Da:	9.46
IP(EA), eV:	-9.23(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2,2-dimethyl-1,3-dihydrobenzimidazole-4-thiol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C2=C(C=C(C=C2)OC(=O)CCCCCCCCCC(=O)OC3=CC(=C(C=C3)C4=CC=C(C=C4)C#N)P)F

DOS

IR

Vibrations