Geometry & MOs

Info

ID:	183320
PubChem CID:	77006816
Reduced:	NSO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	311.064986
ΔH_f, kcal/mol:	-103.79
Dipole, Da:	3.34
IP(EA), eV:	-9.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-[3-(3-methylthiophen-2-yl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1N(C(CS1)C(=O)O)C(=O)C=CC2=CC=CC=C2C

DOS

IR

Vibrations