Geometry & MOs

Info

ID:	209963
PubChem CID:	80743373
Reduced:	SN2O2C16H18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	332.122835
ΔH_f, kcal/mol:	-55.24
Dipole, Da:	8.22
IP(EA), eV:	-8.8(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methylthiolan-2-yl)methylcarbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CCCS1)CNC2=CC(=NC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations