Geometry & MOs

Info

ID:	288051
PubChem CID:	104310282
Reduced:	FN2O2S2H7C14 (1)
Stoich.:	AB2C2D2E7F14 (1)
Weight, g/mol:	278.143056
ΔH_f, kcal/mol:	-26.66
Dipole, Da:	9.13
IP(EA), eV:	-9.08(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-2-heptan-4-yl-1H-benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CSC2=C1SC(=C2)C3=NC4=C(N3)C=C(C(=C4)C(=O)O)F

DOS

IR

Vibrations