Geometry & MOs

Info

ID:	145272
PubChem CID:	53490619
Reduced:	SO3N6C23H34 (1)
Stoich.:	AB3C6D23E34 (1)
Weight, g/mol:	454.091118
ΔH_f, kcal/mol:	-101.52
Dipole, Da:	8.71
IP(EA), eV:	-9.16(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)CN1CCN(CC1)C2=NC=C(C(=N2)N)S(=O)(=O)C3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations