Geometry & MOs

Info

ID:	267979
PubChem CID:	103592451
Reduced:	FS2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	314.029205
ΔH_f, kcal/mol:	3.11
Dipole, Da:	4.42
IP(EA), eV:	-8.36(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-chloroprop-2-enyl)-5-fluoro-6-methylbenzimidazol-2-yl]sulfanylacetic acid

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)C(C)N2C3=C(C=C(C(=C3)C)F)NC2=S

DOS

IR

Vibrations