Geometry & MOs

Info

ID:	217264
PubChem CID:	85087529
Reduced:	FSN2O6C13H17 (1)
Stoich.:	ABC2D6E13F17 (1)
Weight, g/mol:	348.132136
ΔH_f, kcal/mol:	-301.92
Dipole, Da:	6.31
IP(EA), eV:	-9.83(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4-ethoxycarbonyl-5-methyl-2-oxo-1H-pyrrol-3-ylidene)methyl]-5-hydroxy-2-methyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC1CC(CC1F)N2C=CC(=NC2=O)OS(=O)(=O)C

DOS

IR

Vibrations