Geometry & MOs

Info

ID:	46579
PubChem CID:	10525336
Reduced:	NSO3H23C24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	404.954112
ΔH_f, kcal/mol:	34.42
Dipole, Da:	8.34
IP(EA), eV:	-8.53(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-bis(1,3-benzodithiol-2-yl)-3-chloro-1H-pyrrole

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)/C=C/C2=CC=C(S2)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations