Geometry & MOs

Info

ID:	399717
PubChem CID:	135042027
Reduced:	BrNSSiC14H22 (1)
Stoich.:	ABCDE14F22 (1)
Weight, g/mol:	272.050715
ΔH_f, kcal/mol:	-18.47
Dipole, Da:	2.4
IP(EA), eV:	-8.48(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-benzoyl-3-thiophen-3-yloxolan-2-one

Drug info:

PubChemData

Smile

C[Si](C)(C)C1=CC(=C(S1)C=NC2CCCCC2)Br

DOS

IR

Vibrations