Geometry & MOs

Info

ID:	85027
PubChem CID:	49871395
Reduced:	O2N4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	297.194008
ΔH_f, kcal/mol:	-44.12
Dipole, Da:	4.29
IP(EA), eV:	-9.02(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-hydroxy-2-[(1R)-1-hydroxyethyl]-1-methyl-4-[(2S)-2-methyloctanoyl]-2H-pyrrol-3-one

Drug info:

PubChemData

Smile

CC(=C)C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

DOS

IR

Vibrations