Geometry & MOs

Info

ID:	58876
PubChem CID:	24715018
Reduced:	NSO4C17H27 (1)
Stoich.:	ABC4D17E27 (1)
Weight, g/mol:	243.092915
ΔH_f, kcal/mol:	-187.75
Dipole, Da:	4.13
IP(EA), eV:	-9.15(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-(cyclohexanecarbonyl)-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)CC(C)C

DOS

IR

Vibrations