Geometry & MOs

Info

ID:	82027
PubChem CID:	49855501
Reduced:	SN3O4C26H27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	464.204611
ΔH_f, kcal/mol:	-53.19
Dipole, Da:	3.58
IP(EA), eV:	-9.26(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[8-[[(6-methylpyridin-2-yl)amino]methyl]-7-azaspiro[3.5]nonan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN=C(S1)N2C(C(=C(C2=O)OC)C(=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations