Geometry & MOs

Info

ID:	287794
PubChem CID:	104294622
Reduced:	NF2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	299.1333
ΔH_f, kcal/mol:	-229.85
Dipole, Da:	7.86
IP(EA), eV:	-10.31(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-difluoro-5-methylbenzoyl)amino]-2,2,3-trimethylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(=O)NCC(C(C)C)C(=O)O

DOS

IR

Vibrations