Geometry & MOs

Info

ID:	448416
PubChem CID:	135290747
Reduced:	ON2F4H8C12 (1)
Stoich.:	AB2C4D8E12 (1)
Weight, g/mol:	269.087492
ΔH_f, kcal/mol:	-158.1
Dipole, Da:	5.41
IP(EA), eV:	-9.87(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(cyclopropyloxycarbonylamino)-4,4,4-trifluoro-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

C1=CN(N=C1C2=CC(=C(C(=C2)F)C=O)F)CC(F)F

DOS

IR

Vibrations