Geometry & MOs

Info

ID:	46827
PubChem CID:	10527673
Reduced:	NSO7C22H31 (1)
Stoich.:	ABC7D22E31 (1)
Weight, g/mol:	453.115409
ΔH_f, kcal/mol:	-257.81
Dipole, Da:	6.14
IP(EA), eV:	-9.71(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl-[2-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]sulfonylethyl]silane

Drug info:

PubChemData

Smile

C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)C3=CN=C(S3)C(=O)C)/C)[C@H](C)O

DOS

IR

Vibrations