Geometry & MOs

Info

ID:	155226
PubChem CID:	56322773
Reduced:	SN2O4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	431.204277
ΔH_f, kcal/mol:	-110.11
Dipole, Da:	8.92
IP(EA), eV:	-8.83(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylthiophen-3-yl)-N-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3N4CCOC4=O

DOS

IR

Vibrations