Geometry & MOs

Info

ID:	184511
PubChem CID:	77171319
Reduced:	NF3O3C15H20 (1)
Stoich.:	AB3C3D15E20 (1)
Weight, g/mol:	576.207627
ΔH_f, kcal/mol:	-304.72
Dipole, Da:	3.61
IP(EA), eV:	-9.89(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-8-[2-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-2-methylphenyl]ethenylsulfonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

Drug info:

PubChemData

Smile

CC(C(C1=CC=C(C=C1)C(F)(F)F)O)N(C(=O)O)C(C)(C)C

DOS

IR

Vibrations