Geometry & MOs

Info

ID:	397990
PubChem CID:	135031287
Reduced:	O2H9C12 (2)
Stoich.:	A2B9C12 (2)
Weight, g/mol:	309.230394
ΔH_f, kcal/mol:	-61.6
Dipole, Da:	2.68
IP(EA), eV:	-9.92(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-hydroxy-2-methyl-4-[(4S)-4-methyldodecanoyl]-1,2-dihydropyrrol-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3=CC=CC=C3C2C(=O)C4=CC=CC=C4C=O)O

DOS

IR

Vibrations