Geometry & MOs

Info

ID:	422591
PubChem CID:	135118100
Reduced:	FSN2O4C17H25 (1)
Stoich.:	ABC2D4E17F25 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	-208.99
Dipole, Da:	5.6
IP(EA), eV:	-9.49(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-2,3-dimethylbenzamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCCC2=CC=C(C=C2)F

DOS

IR

Vibrations