Geometry & MOs

Info

ID:	335699
PubChem CID:	127254561
Reduced:	O4N6H22C27 (1)
Stoich.:	A4B6C22D27 (1)
Weight, g/mol:	344.104208
ΔH_f, kcal/mol:	-27.27
Dipole, Da:	2.28
IP(EA), eV:	-8.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-(4-propan-2-ylsulfonylpiperazine-1-carbonyl)pyran-4-one

Drug info:

PubChemData

Smile

COCC1=NC(=NN1)C2=CC(=CC=C2)NC(=O)CN3C4C5=CC=CC=C5C(=O)N4C6=CC=CC=C6C3=O

DOS

IR

Vibrations