Geometry & MOs

Info

ID:	392070
PubChem CID:	135012563
Reduced:	FSN3O11C19H26 (1)
Stoich.:	ABC3D11E19F26 (1)
Weight, g/mol:	365.177964
ΔH_f, kcal/mol:	-512.81
Dipole, Da:	9.75
IP(EA), eV:	-9.97(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(4-methylphenyl)-5-phenyl-3-(2-phenylethynyl)-2H-pyrrol-3-ol

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@H]([C@@H](O[C@@H]1[C@@H](C(=O)OC)NS(=O)(=O)C(C)(C)C)N2C=C(C(=O)NC2=O)F)OC(=O)C

DOS

IR

Vibrations