Geometry & MOs

Info

ID:	231346
PubChem CID:	87573516
Reduced:	NSiO4C20H32 (1)
Stoich.:	ABC4D20E32 (1)
Weight, g/mol:	417.042868
ΔH_f, kcal/mol:	-174.34
Dipole, Da:	5.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756769
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[C@](C=O)([C@@](C1=CC=CC=C1)(C(=O)OC(C)(C)C)O[Si](C)C)N

DOS

IR

Vibrations