Geometry & MOs

Info

ID:	384748
PubChem CID:	134977607
Reduced:	NSO4H27C30 (1)
Stoich.:	ABC4D27E30 (1)
Weight, g/mol:	466.119858
ΔH_f, kcal/mol:	-65.48
Dipole, Da:	5.42
IP(EA), eV:	-8.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,5S)-5-methyl-2-naphthalen-1-yl-1-(4-nitrophenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C[C@@H](N([C@@H]1C2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5

DOS

IR

Vibrations