Geometry & MOs

Info

ID:	390452
PubChem CID:	134999224
Reduced:	NSC23H23 (1)
Stoich.:	ABC23D23 (1)
Weight, g/mol:	515.228286
ΔH_f, kcal/mol:	69.96
Dipole, Da:	2.67
IP(EA), eV:	-8.22(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-3-[(Z)-2-benzylsulfanylethenyl]-5-phenyl-1-(2-phenylpropan-2-yl)pyrrol-2-one

Drug info:

PubChemData

Smile

C[C@]1(CN(C2=CC=CC=C21)CC3=CC=CC=C3)CSC4=CC=CC=C4

DOS

IR

Vibrations