Geometry & MOs

Info

ID:	379550
PubChem CID:	134444240
Reduced:	NSO2C10H15 (1)
Stoich.:	ABC2D10E15 (1)
Weight, g/mol:	394.128589
ΔH_f, kcal/mol:	-55.96
Dipole, Da:	1.98
IP(EA), eV:	-8.53(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-(1-propylpyrazol-4-yl)-2-[2-(6H-thieno[2,3-b]pyrrol-5-yl)ethyl]thieno[2,3-b]pyrrole

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C(=C/C)/SC=C)/N

DOS

IR

Vibrations