Geometry & MOs

Info

ID:	418548
PubChem CID:	135105684
Reduced:	FSN3O3C22H26 (1)
Stoich.:	ABC3D3E22F26 (1)
Weight, g/mol:	318.140199
ΔH_f, kcal/mol:	-118.63
Dipole, Da:	2.23
IP(EA), eV:	-9.46(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(2-methylsulfanylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC(=O)[C@]2(C[C@H]3CC[C@@H]2N3C(=O)COC)CC4=CSC=N4)F

DOS

IR

Vibrations