Geometry & MOs

Info

ID:	309311
PubChem CID:	126544329
Reduced:	SF3N4O4H19C21 (1)
Stoich.:	AB3C4D4E19F21 (1)
Weight, g/mol:	331.168462
ΔH_f, kcal/mol:	-186.56
Dipole, Da:	4.04
IP(EA), eV:	-9.32(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-butanoyl-4-methyl-6-quinolin-3-ylcyclohexa-1,4-diene-1-carbonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC(C1)C(=O)N(CC2=C(C=C(C=C2)C3=NN=C(O3)C(F)F)F)C4=CC=CC=C4

DOS

IR

Vibrations