Geometry & MOs

Info

ID:	84805
PubChem CID:	49870002
Reduced:	O2C29H46 (1)
Stoich.:	A2B29C46 (1)
Weight, g/mol:	324.093306
ΔH_f, kcal/mol:	-142.24
Dipole, Da:	2.99
IP(EA), eV:	-7.95(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-hydroxy-1-methyl-4-oxo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-2-yl]methylamino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCC(O2)(C)CC/C=C(\C)/CC/C=C(\C)/CCCC(C)C)C(=C1O)C)C

DOS

IR

Vibrations