Geometry & MOs

Info

ID:	320500
PubChem CID:	126661470
Reduced:	SO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	435.234434
ΔH_f, kcal/mol:	6.02
Dipole, Da:	3.08
IP(EA), eV:	-8.59(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-azaspiro[5.5]undecan-9-yl)phenyl]-1-[(2E)-2-pyrrol-3-ylidene-3H-1,3-thiazol-4-yl]propan-1-ol

Drug info:

PubChemData

Smile

COC1=C2C(=CN=C1)C=CC=C2S(=O)N3CC4CNC4C3

DOS

IR

Vibrations