Geometry & MOs

Info

ID:	226159
PubChem CID:	87325981
Reduced:	S2F6H16C23 (1)
Stoich.:	A2B6C16D23 (1)
Weight, g/mol:	219.147058
ΔH_f, kcal/mol:	-217.42
Dipole, Da:	1.88
IP(EA), eV:	-8.69(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-tert-butylpentanedioic acid;methane

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2S1)C3(C(C(C(C3(C4=C(SC5=CC=CC=C54)C)F)(F)F)F)F)F

DOS

IR

Vibrations