Geometry & MOs

Info

ID:	204348
PubChem CID:	79952158
Reduced:	NSC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	259.124215
ΔH_f, kcal/mol:	-3.38
Dipole, Da:	1.99
IP(EA), eV:	-8.49(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-3-morpholin-4-ylthian-3-yl)acetic acid

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C2(CCCSC2C)N)C

DOS

IR

Vibrations