Geometry & MOs

Info

ID:	392190
PubChem CID:	135013583
Reduced:	NSiO5C32H55 (1)
Stoich.:	ABC5D32E55 (1)
Weight, g/mol:	308.071845
ΔH_f, kcal/mol:	-307.13
Dipole, Da:	2.39
IP(EA), eV:	-8.8(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2S)-5-(benzenesulfonyl)-4-oxopentan-2-yl]-2H-furan-5-one

Drug info:

PubChemData

Smile

CCCCCCCC[C@@H](C)[C@@H]([C@H](C)C=C)OC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations