Geometry & MOs

Info

ID:	390392
PubChem CID:	134998912
Reduced:	NSO2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	315.165686
ΔH_f, kcal/mol:	-3.76
Dipole, Da:	2.22
IP(EA), eV:	-8.62(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-methyl-3-[(Z)-2-methylsulfanylprop-1-enyl]-5-phenylpyrrol-2-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)/C=N/SC2=CC=CC=C2

DOS

IR

Vibrations