Geometry & MOs

Info

ID:	129562
PubChem CID:	51073100
Reduced:	OS2N3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	279.1293
ΔH_f, kcal/mol:	45.01
Dipole, Da:	4.23
IP(EA), eV:	-9.07(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azocan-1-yl-(4-methylsulfinylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C#N)SC2=NC3=C(C=CS3)C(=O)N2C

DOS

IR

Vibrations