Geometry & MOs

Info

ID:	263898
PubChem CID:	103405864
Reduced:	ClNSF2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	297.075427
ΔH_f, kcal/mol:	-60.42
Dipole, Da:	1.4
IP(EA), eV:	-9.11(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(C2=CC(=CC(=C2)F)F)N

DOS

IR

Vibrations