Geometry & MOs

Info

ID:	268010
PubChem CID:	103595316
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	213.118735
ΔH_f, kcal/mol:	-54.55
Dipole, Da:	4.29
IP(EA), eV:	-8.39(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylthiomorpholin-3-yl)hex-5-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C(=O)C2CSCCN2C

DOS

IR

Vibrations