Geometry & MOs

Info

ID:	381717
PubChem CID:	134972529
Reduced:	SiN2O5C20H32 (1)
Stoich.:	AB2C5D20E32 (1)
Weight, g/mol:	198.125594
ΔH_f, kcal/mol:	-254.96
Dipole, Da:	5.98
IP(EA), eV:	-8.87(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5S)-4-acetyl-3-butyl-5-methyloxolan-2-one

Drug info:

PubChemData

Smile

CCOC1C=CC([C@H](O1)CO[Si](C)(C)C(C)(C)C)N2C=C(C(=O)NC2=O)C=C

DOS

IR

Vibrations