Geometry & MOs

Info

ID:	213397
PubChem CID:	81063606
Reduced:	N2S2O5C12H18 (1)
Stoich.:	A2B2C5D12E18 (1)
Weight, g/mol:	307.083156
ΔH_f, kcal/mol:	-188.75
Dipole, Da:	1.74
IP(EA), eV:	-9.74(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CN(C)S(=O)(=O)C1=CC=CS1

DOS

IR

Vibrations