Geometry & MOs

Info

ID:	203187
PubChem CID:	79791694
Reduced:	NSF3O3H10C13 (1)
Stoich.:	ABC3D3E10F13 (1)
Weight, g/mol:	305.087492
ΔH_f, kcal/mol:	-240.56
Dipole, Da:	8.89
IP(EA), eV:	-9.39(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[(3-methoxy-4-methylbenzoyl)amino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)(C(F)(F)F)NC(=O)C1=CSC2=CC=CC=C21

DOS

IR

Vibrations