Geometry & MOs

Info

ID:	160063
PubChem CID:	57304562
Reduced:	ClSF3O4H16C17 (1)
Stoich.:	ABC3D4E16F17 (1)
Weight, g/mol:	535.520254
ΔH_f, kcal/mol:	-292.63
Dipole, Da:	3.85
IP(EA), eV:	-8.79(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dibutyl-[4-(2-oxopyrrolidin-1-yl)butyl]-(4-tetradec-1-enoxybutyl)azanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCCOS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

DOS

IR

Vibrations