Geometry & MOs

Info

ID:	383570
PubChem CID:	134975364
Reduced:	NOSC10H10 (2)
Stoich.:	ABCD10E10 (2)
Weight, g/mol:	312.162649
ΔH_f, kcal/mol:	27.75
Dipole, Da:	3.45
IP(EA), eV:	-7.05(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2-(1-benzylpyrrol-3-yl)pyrrole

Drug info:

PubChemData

Smile

C[S@@](=NC1=CC=CC=C1N=[S@@](=O)(C)C2=CC=CC=C2)(=O)C3=CC=CC=C3

DOS

IR

Vibrations