Geometry & MOs

Info

ID:	142386
PubChem CID:	53026617
Reduced:	O2F3N3H22C27 (1)
Stoich.:	A2B3C3D22E27 (1)
Weight, g/mol:	465.156971
ΔH_f, kcal/mol:	-144.29
Dipole, Da:	4.49
IP(EA), eV:	-8.43(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)piperidin-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=C2N=CN(C3=O)CC4=CC(=CC=C4)OC)CC5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations