Geometry & MOs

Info

ID:	231648
PubChem CID:	87574375
Reduced:	OSN6C23H24 (1)
Stoich.:	ABC6D23E24 (1)
Weight, g/mol:	433.037783
ΔH_f, kcal/mol:	84.12
Dipole, Da:	3.93
IP(EA), eV:	-8.48(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(R)-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-4-sulfonyl-1,5-dihydrobenzimidazole

Drug info:

PubChemData

Smile

C1CC(CN(C1)CCC=O)N2C=C(C=N2)C3=CC(=C(N=C3)N)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations