Geometry & MOs

Info

ID:	418452
PubChem CID:	135104905
Reduced:	ClSN2O5C15H21 (1)
Stoich.:	ABC2D5E15F21 (1)
Weight, g/mol:	402.167889
ΔH_f, kcal/mol:	-188.68
Dipole, Da:	4.34
IP(EA), eV:	-9.4(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)COC2=CC=CC=C2Cl

DOS

IR

Vibrations