Geometry & MOs

Info

ID:	203206
PubChem CID:	79792423
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	289.092578
ΔH_f, kcal/mol:	-128.79
Dipole, Da:	8.1
IP(EA), eV:	-9.73(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)NC(=O)C1=CC=C(S1)C

DOS

IR

Vibrations