Geometry & MOs

Info

ID:	440299
PubChem CID:	135230246
Reduced:	ClN4O5C18H19 (1)
Stoich.:	AB4C5D18E19 (1)
Weight, g/mol:	353.050194
ΔH_f, kcal/mol:	-164.38
Dipole, Da:	6.05
IP(EA), eV:	-8.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloropyrimidin-4-yl)-2-(pyridin-2-ylmethylsulfanyl)benzimidazole

Drug info:

PubChemData

Smile

COC1=CN=C(C2=C1C=CC(=C2)Cl)O[C@@H]3CC(N(C3)C(=O)CNC=O)C(=O)N

DOS

IR

Vibrations