Geometry & MOs

Info

ID:	373991
PubChem CID:	131322104
Reduced:	ClNSO2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	235.046713
ΔH_f, kcal/mol:	-60.27
Dipole, Da:	7.49
IP(EA), eV:	-8.76(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-aminothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1C(=O)O)C=C(S2)CCl)N

DOS

IR

Vibrations