Geometry & MOs

Info

ID:	137268
PubChem CID:	52180731
Reduced:	S2N4O4C17H18 (1)
Stoich.:	A2B4C4D17E18 (1)
Weight, g/mol:	137.041411
ΔH_f, kcal/mol:	-107.99
Dipole, Da:	6.69
IP(EA), eV:	-8.86(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-4,4-difluoro-2-methylbutanoate

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3)C(=O)NC4=NC=CS4

DOS

IR

Vibrations