Geometry & MOs

Info

ID:	374047
PubChem CID:	131323001
Reduced:	BrOSF2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	238.041213
ΔH_f, kcal/mol:	-108.89
Dipole, Da:	1.63
IP(EA), eV:	-9.16(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-cyanothiophen-2-yl)morpholine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)CO)C(F)F)Br

DOS

IR

Vibrations