Geometry & MOs

Info

ID:	440308
PubChem CID:	135230255
Reduced:	S2N7H11C13 (1)
Stoich.:	A2B7C11D13 (1)
Weight, g/mol:	336.104482
ΔH_f, kcal/mol:	184.19
Dipole, Da:	4.16
IP(EA), eV:	-9.01(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-5-[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]-1,2-oxazole

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC4=CSC=N4

DOS

IR

Vibrations