Geometry & MOs

Info

ID:	213376
PubChem CID:	81063569
Reduced:	NOSC10H23 (1)
Stoich.:	ABCD10E23 (1)
Weight, g/mol:	293.067506
ΔH_f, kcal/mol:	-69.53
Dipole, Da:	2.14
IP(EA), eV:	-8.8(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(2,3,4,5-tetrafluorobenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)CCCCS

DOS

IR

Vibrations