Geometry & MOs

Info

ID:	142283
PubChem CID:	53008846
Reduced:	SF2N2O2H12C19 (1)
Stoich.:	AB2C2D2E12F19 (1)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	-56.86
Dipole, Da:	4.73
IP(EA), eV:	-8.98(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-(pentanoylamino)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)OC3=CC=C(C=C3)F)C4=CC(=CC=C4)F

DOS

IR

Vibrations