Geometry & MOs

Info

ID:	322318
PubChem CID:	126669720
Reduced:	SF3O4H13C14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	560.224655
ΔH_f, kcal/mol:	-283.99
Dipole, Da:	3.39
IP(EA), eV:	-9.88(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-4-[[2-[[[2-methoxy-5-(trifluoromethoxy)phenyl]carbamoylamino]methyl]phenoxy]methyl]benzamide

Drug info:

PubChemData

Smile

C1CC2CCC1C3=C2C(=CC(=C3)C=O)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations