Geometry & MOs

Info

ID:	121164
PubChem CID:	50757669
Reduced:	SF2N2O3H20C22 (1)
Stoich.:	AB2C2D3E20F22 (1)
Weight, g/mol:	454.138485
ΔH_f, kcal/mol:	-152.67
Dipole, Da:	2.67
IP(EA), eV:	-9.61(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-tert-butylphenyl)sulfonylquinolin-3-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C2=C3C=C(C=CC3=NC=C2C(=O)N4CCCCC4)F)F

DOS

IR

Vibrations