Geometry & MOs

Info

ID:	336896
PubChem CID:	127255903
Reduced:	O3C37H52 (1)
Stoich.:	A3B37C52 (1)
Weight, g/mol:	263.061672
ΔH_f, kcal/mol:	-168.39
Dipole, Da:	4.36
IP(EA), eV:	-9.49(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2,3-dihydroxybutanedioic acid;(2S)-1,1,1-trifluoropropan-2-amine

Drug info:

PubChemData

Smile

CC(=C)C1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations