Geometry & MOs

Info

ID:	391600
PubChem CID:	135006902
Reduced:	ClSO2H15C18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	446.08551
ΔH_f, kcal/mol:	0.42
Dipole, Da:	3.76
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4Z)-4-benzylidene-5-phenyl-2,3-dihydropyrrol-1-ium-1-yl]ethyl]acetamide;iodide

Drug info:

PubChemData

Smile

COC(=O)C(C=C=C)(C1=CC=CC=C1Cl)SC2=CC=CC=C2

DOS

IR

Vibrations