Geometry & MOs

Info

ID:	168749
PubChem CID:	75014166
Reduced:	FS3N4O4C16H17 (1)
Stoich.:	AB3C4D4E16F17 (1)
Weight, g/mol:	350.172939
ΔH_f, kcal/mol:	-137.23
Dipole, Da:	5.29
IP(EA), eV:	-9.05(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl)-2H-furan-5-one

Drug info:

PubChemData

Smile

CC(=S)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C3=NN=C(S3)CS(=O)(=O)C)F

DOS

IR

Vibrations