Geometry & MOs

Info

ID:	307518
PubChem CID:	125307299
Reduced:	SF2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	362.184172
ΔH_f, kcal/mol:	-30.5
Dipole, Da:	4.98
IP(EA), eV:	-8.84(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-heptyl-6,7-dimethoxy-2,4-dioxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C[C@H]1N3[C@@H](C=NC3=S)CN)C=C(C=C2F)F

DOS

IR

Vibrations