Geometry & MOs

Info

ID:	207636
PubChem CID:	80429869
Reduced:	S2N5C11H11 (1)
Stoich.:	A2B5C11D11 (1)
Weight, g/mol:	283.061318
ΔH_f, kcal/mol:	106.17
Dipole, Da:	4.98
IP(EA), eV:	-8.98(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=NSC(=N1)SC2=C(N3C=CC=CC3=N2)CN

DOS

IR

Vibrations