Geometry & MOs

Info

ID:	342141
PubChem CID:	127264854
Reduced:	FN3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	340.088164
ΔH_f, kcal/mol:	-67.09
Dipole, Da:	3.74
IP(EA), eV:	-9.5(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(1-benzothiophen-2-yl)ethenyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C2C(=O)NCCN2C(=O)C3=CC(=NO3)C4CC4

DOS

IR

Vibrations