Geometry & MOs

Info

ID:	80974
PubChem CID:	49854175
Reduced:	ClSF3N3O4C31H35 (1)
Stoich.:	ABC3D3E4F31G35 (1)
Weight, g/mol:	506.198777
ΔH_f, kcal/mol:	-265.91
Dipole, Da:	6.0
IP(EA), eV:	-8.75(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

CC/C(=C\1/CCC(C1(CN2C(=S)N(C=N2)C(=O)OC3=CC=CC=C3)O)(C)C(F)(F)F)/C4=CC(=C(C=C4)Cl)OCC(C)(C)C

DOS

IR

Vibrations