Geometry & MOs

Info

ID:	81765
PubChem CID:	49855117
Reduced:	SF2N3O4H23C24 (1)
Stoich.:	AB2C3D4E23F24 (1)
Weight, g/mol:	532.178041
ΔH_f, kcal/mol:	-163.21
Dipole, Da:	4.98
IP(EA), eV:	-8.4(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methoxy-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations