Geometry & MOs

Info

ID:	275976
PubChem CID:	103819618
Reduced:	NF2O5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	327.114044
ΔH_f, kcal/mol:	-304.79
Dipole, Da:	3.57
IP(EA), eV:	-10.39(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-ethylthiophen-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC(=O)C1=CC(=C(C=C1)F)F)C(=O)O

DOS

IR

Vibrations