Geometry & MOs

Info

ID:	20156
PubChem CID:	580454
Reduced:	ClNOS2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	315.051834
ΔH_f, kcal/mol:	-33.59
Dipole, Da:	5.78
IP(EA), eV:	-8.67(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-3-[(3-chlorophenyl)methyl]-4-hydroxy-1,3-thiazolidine-2-thione

Drug info:

PubChemData

Smile

CC(C)(C)C1(CSC(=S)N1CC2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations