Geometry & MOs

Info

ID:	208424
PubChem CID:	80529244
Reduced:	ClNSF3H9C12 (1)
Stoich.:	ABCD3E9F12 (1)
Weight, g/mol:	283.059776
ΔH_f, kcal/mol:	-88.64
Dipole, Da:	3.54
IP(EA), eV:	-9.23(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorothiophen-2-yl)-(3-fluorophenyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CNC(C1=C(C(=C(C=C1)F)F)F)C2=C(C=CS2)Cl

DOS

IR

Vibrations