Geometry & MOs

Info

ID:	30039
PubChem CID:	839076
Reduced:	OS2N4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	333.132471
ΔH_f, kcal/mol:	20.71
Dipole, Da:	5.28
IP(EA), eV:	-8.37(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-acetyl-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(S2)N)C

DOS

IR

Vibrations