Geometry & MOs

Info

ID:	434726
PubChem CID:	135175588
Reduced:	ClSF2N3O4C36H36 (1)
Stoich.:	ABC2D3E4F36G36 (1)
Weight, g/mol:	243.99213
ΔH_f, kcal/mol:	-188.84
Dipole, Da:	3.59
IP(EA), eV:	-8.92(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-cyclopentyl-4H-thiopyran

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@H](C(=O)N4C5CCC4[C@@H](C5)N)C(C6=CC=C(C=C6)C7=CC=C(C=C7)Cl)(F)F

DOS

IR

Vibrations