Geometry & MOs

Info

ID:	434514
PubChem CID:	135175110
Reduced:	BrSF2N3O4C26H32 (1)
Stoich.:	ABC2D3E4F26G32 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-228.88
Dipole, Da:	5.74
IP(EA), eV:	-9.29(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(propan-2-ylamino)cyclobutyl]oxypyridin-4-yl]butan-2-one

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(C(=O)N2C3CCC2CC(C3)N)C(C4=CC=C(C=C4)Br)(F)F

DOS

IR

Vibrations