Geometry & MOs

Info

ID:	416369
PubChem CID:	135089382
Reduced:	SO2N5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	319.1606
ΔH_f, kcal/mol:	46.41
Dipole, Da:	7.83
IP(EA), eV:	-9.28(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]thiophen-2-yl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NN=N4)C5=C1C=CS5

DOS

IR

Vibrations