Geometry & MOs

Info

ID:	7387
PubChem CID:	72349
Reduced:	ClSF3O3N4H22C27 (1)
Stoich.:	ABC3D3E4F22G27 (1)
Weight, g/mol:	574.105324
ΔH_f, kcal/mol:	-179.2
Dipole, Da:	1.15
IP(EA), eV:	-9.14(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)S(=O)(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations