Geometry & MOs

Info

ID:	437017
PubChem CID:	135213732
Reduced:	SN6O6C18H20 (1)
Stoich.:	AB6C6D18E20 (1)
Weight, g/mol:	197.141579
ΔH_f, kcal/mol:	-95.85
Dipole, Da:	8.25
IP(EA), eV:	-9.36(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butan-2-yloxy-4-ethyl-4-methyl-3H-pyrrol-5-one

Drug info:

PubChemData

Smile

CN1C2=C(C3CN(C2C(=O)N(C)C)C(=O)N3OS(=O)(=O)O)C(=N1)/C=C\C4=CN=CC=C4

DOS

IR

Vibrations