Geometry & MOs

Info

ID:	204013
PubChem CID:	79901076
Reduced:	NSO2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	304.160935
ΔH_f, kcal/mol:	-58.39
Dipole, Da:	4.81
IP(EA), eV:	-8.63(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[N-(5-oxaspiro[3.5]nonan-8-yl)anilino]propanethioamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC2CCOC3(C2)CCSC3)C)C#N

DOS

IR

Vibrations