Geometry & MOs

Info

ID:	245365
PubChem CID:	99443894
Reduced:	BrFNOSH15C16 (1)
Stoich.:	ABCDEF15G16 (1)
Weight, g/mol:	361.131192
ΔH_f, kcal/mol:	-11.88
Dipole, Da:	2.35
IP(EA), eV:	-9.44(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1F)N(C2CC2)C(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations