Geometry & MOs

Info

ID:	146268
PubChem CID:	53662305
Reduced:	O3N5C27H31 (1)
Stoich.:	A3B5C27D31 (1)
Weight, g/mol:	222.020679
ΔH_f, kcal/mol:	25.25
Dipole, Da:	1.59
IP(EA), eV:	-8.24(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(ethyldisulfanyl)-3-propylsulfinylprop-1-yne

Drug info:

PubChemData

Smile

C1CN(CCN1CC(CN2C(=C3C4CC(C3=C2O)C=C4)O)OCC5=CN=CC=C5)C6=CC=CC=N6

DOS

IR

Vibrations