Geometry & MOs

Info

ID:	395219
PubChem CID:	135024945
Reduced:	PN5O7C12H18 (1)
Stoich.:	AB5C7D12E18 (1)
Weight, g/mol:	330.067428
ΔH_f, kcal/mol:	-296.98
Dipole, Da:	13.64
IP(EA), eV:	-8.93(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenyl)sulfonyl-2-phenyl-2,5-dihydropyrrole

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](O[C@@H]1COP(=O)(O)OC)N2C=NC3=C2NC(=NC3=O)N

DOS

IR

Vibrations