Geometry & MOs

Info

ID:	404846
PubChem CID:	135071400
Reduced:	O3C17H20 (1)
Stoich.:	A3B17C20 (1)
Weight, g/mol:	245.14495
ΔH_f, kcal/mol:	-66.46
Dipole, Da:	3.45
IP(EA), eV:	-8.71(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE,R)-2-methyl-N-(6-oxooctylidene)propane-2-sulfinamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC(/C=C/C1=CC=C(C=C1)OC)C#C

DOS

IR

Vibrations