Geometry & MOs

Info

ID:	207804
PubChem CID:	80451616
Reduced:	NOSC14H23 (1)
Stoich.:	ABCD14E23 (1)
Weight, g/mol:	203.098
ΔH_f, kcal/mol:	-38.8
Dipole, Da:	5.18
IP(EA), eV:	-7.99(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butan-2-ylthiomorpholine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCNC(CSC1=CC=CC=C1OC)C(C)C

DOS

IR

Vibrations