Geometry & MOs

Info

ID:	384747
PubChem CID:	134977606
Reduced:	O3C15H16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	497.16608
ΔH_f, kcal/mol:	-79.49
Dipole, Da:	3.82
IP(EA), eV:	-9.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,5R)-1-(4-methylphenyl)sulfonyl-2-naphthalen-1-yl-5-phenyl-2,5-dihydropyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=C[C@H]2CCC[C@H]2[C@@H]1C(=O)C3=CC=CO3

DOS

IR

Vibrations