Geometry & MOs

Info

ID:	142029
PubChem CID:	52969666
Reduced:	FSN2O4C19H25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	323.093977
ΔH_f, kcal/mol:	-175.93
Dipole, Da:	4.07
IP(EA), eV:	-8.21(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(12-methyl-4,6-dioxa-10-thia-12-azatricyclo[7.3.0.03,7]dodecan-11-ylidene)-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2C(CCCC2SC1=NC(=O)C3=CC(=C(C(=C3)OC)OC)OC)F

DOS

IR

Vibrations