Geometry & MOs

Info

ID:	418842
PubChem CID:	135106947
Reduced:	SN4O4C18H28 (1)
Stoich.:	AB4C4D18E28 (1)
Weight, g/mol:	332.20124
ΔH_f, kcal/mol:	-137.39
Dipole, Da:	5.44
IP(EA), eV:	-9.62(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC2CCN(CC2)C(=O)C3=CC=NC=C3

DOS

IR

Vibrations