Geometry & MOs

Info

ID:	196345
PubChem CID:	78814485
Reduced:	FOSN3C16H20 (1)
Stoich.:	ABCD3E16F20 (1)
Weight, g/mol:	299.040326
ΔH_f, kcal/mol:	-48.15
Dipole, Da:	3.43
IP(EA), eV:	-8.51(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-difluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CCN2CCN(CC2)C3=CC=CC=C3F

DOS

IR

Vibrations