Geometry & MOs

Info

ID:	417239
PubChem CID:	135091767
Reduced:	ON6C24H28 (1)
Stoich.:	AB6C24D28 (1)
Weight, g/mol:	449.105468
ΔH_f, kcal/mol:	33.42
Dipole, Da:	5.42
IP(EA), eV:	-8.74(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophen-3-yl]sulfonyl-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N3CCCC4(C3)CCC5=CN=C(N=C45)N

DOS

IR

Vibrations