Geometry & MOs

Info

ID:	373992
PubChem CID:	131322123
Reduced:	FNOSH10C12 (1)
Stoich.:	ABCDE10F12 (1)
Weight, g/mol:	235.046713
ΔH_f, kcal/mol:	-38.86
Dipole, Da:	6.05
IP(EA), eV:	-8.88(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-aminothiophen-2-yl)-2-(3-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)C2=CC=C(S2)N)F

DOS

IR

Vibrations