Geometry & MOs

Info

ID:	195666
PubChem CID:	78719799
Reduced:	FSO2N6C15H15 (1)
Stoich.:	ABC2D6E15F15 (1)
Weight, g/mol:	381.14483
ΔH_f, kcal/mol:	24.75
Dipole, Da:	8.16
IP(EA), eV:	-9.11(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-thiophen-2-ylpyrrolidin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C(C)SC2=NN=C(N2N)C3=CC=CC=C3F

DOS

IR

Vibrations