Geometry & MOs

Info

ID:	440321
PubChem CID:	135230268
Reduced:	SF2O2N6H20C25 (1)
Stoich.:	AB2C2D6E20F25 (1)
Weight, g/mol:	390.115047
ΔH_f, kcal/mol:	-29.98
Dipole, Da:	3.02
IP(EA), eV:	-8.84(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[[1-(3-methylpyridin-2-yl)benzimidazol-2-yl]sulfanylmethyl]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CN1C=CN=C1N2C3=CC=CC=C3N=C2SCC4=NC(=CC=C4)NC(=O)C(OC5=CC=CC=C5)(F)F

DOS

IR

Vibrations