Geometry & MOs

Info

ID:	132859
PubChem CID:	51432934
Reduced:	SO2N5C20H33 (1)
Stoich.:	AB2C5D20E33 (1)
Weight, g/mol:	438.191663
ΔH_f, kcal/mol:	-73.26
Dipole, Da:	8.32
IP(EA), eV:	-8.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2-(4-butoxyphenyl)-3-(5-methylfuran-2-carbonyl)-5-oxo-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CC[C@@H](C)N([C@H](C)CC)C(=O)CSC1=NN=C2N1C3CCCCC3C(=O)N2C

DOS

IR

Vibrations