Geometry & MOs

Info

ID:	205132
PubChem CID:	80059495
Reduced:	BSF4H6C7 (1)
Stoich.:	ABC4D6E7 (1)
Weight, g/mol:	297.079905
ΔH_f, kcal/mol:	-272.05
Dipole, Da:	6.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.939252
Charge, e:	0

Chem-info

IUPAC name:

N-[[3,5-difluoro-4-(3-fluorophenyl)sulfanylphenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

[B-](CSC1=CC=CC(=C1)F)(F)(F)F

DOS

IR

Vibrations