Geometry & MOs

Info

ID:	35953
PubChem CID:	7980538
Reduced:	NO3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	319.104228
ΔH_f, kcal/mol:	-73.41
Dipole, Da:	4.2
IP(EA), eV:	-8.75(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylthiophen-3-yl)-N-(4-fluoro-2-methylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations