Geometry & MOs

Info

ID:	189339
PubChem CID:	77842072
Reduced:	SN5O5C12H15 (1)
Stoich.:	AB5C5D12E15 (1)
Weight, g/mol:	305.116427
ΔH_f, kcal/mol:	-95.88
Dipole, Da:	5.38
IP(EA), eV:	-9.44(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-7-methyl-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrrolo[2,3-f]benzimidazol-6-one

Drug info:

PubChemData

Smile

C1=NN=NN1CCCCC2=C(N3C(S2)C(C3=O)CO)OC(=O)O

DOS

IR

Vibrations