Geometry & MOs

Info

ID:	143222
PubChem CID:	53167250
Reduced:	SN2O2C20H26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	413.157326
ΔH_f, kcal/mol:	-79.22
Dipole, Da:	5.79
IP(EA), eV:	-8.75(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-5-propylthieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CCCN1C=CC2=C(C1=O)C(=C(S2)C)C(=O)NCCC3=CCCCC3

DOS

IR

Vibrations