Geometry & MOs

Info

ID:	40189
PubChem CID:	8143719
Reduced:	FSO2N4C21H24 (1)
Stoich.:	ABC2D4E21F24 (1)
Weight, g/mol:	392.282764
ΔH_f, kcal/mol:	-0.67
Dipole, Da:	3.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.827708
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)phenol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC2=NN(C(=S)N2C3=CC=CC=C3F)C[NH+]4CCCC4

DOS

IR

Vibrations