Geometry & MOs

Info

ID:	28733
PubChem CID:	829238
Reduced:	OSN2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	324.111007
ΔH_f, kcal/mol:	30.72
Dipole, Da:	2.33
IP(EA), eV:	-8.23(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-acetyl-4-hydroxy-2-(4-hydroxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N=C2N(C(=CS2)C3=CC=CC=C3)CCO

DOS

IR

Vibrations