Geometry & MOs

Info

ID:	209215
PubChem CID:	80639171
Reduced:	S2N3C15H21 (1)
Stoich.:	A2B3C15D21 (1)
Weight, g/mol:	269.062283
ΔH_f, kcal/mol:	13.93
Dipole, Da:	4.7
IP(EA), eV:	-8.27(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CCNC1=C2C(=C(SC2=NC(=N1)C3CCCCS3)C)C

DOS

IR

Vibrations