Geometry & MOs

Info

ID:	419879
PubChem CID:	135109556
Reduced:	SO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	291.174691
ΔH_f, kcal/mol:	-42.0
Dipole, Da:	3.65
IP(EA), eV:	-9.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(6-ethyl-5-fluoropyrimidin-4-yl)-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=NC(=CS3)C(C)C

DOS

IR

Vibrations