Geometry & MOs

Info

ID:	145273
PubChem CID:	53491041
Reduced:	SF2O3N4H16C22 (1)
Stoich.:	AB2C3D4E16F22 (1)
Weight, g/mol:	486.032017
ΔH_f, kcal/mol:	-62.35
Dipole, Da:	5.24
IP(EA), eV:	-9.66(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dichlorophenyl)sulfonyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]quinoline-7-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC2=C3C=CC(=CC3=NC=C2S(=O)(=O)C4=CC(=C(C=C4)F)F)C#N

DOS

IR

Vibrations