Geometry & MOs

Info

ID:	413964
PubChem CID:	135086916
Reduced:	BrSC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	390.99254
ΔH_f, kcal/mol:	44.45
Dipole, Da:	3.23
IP(EA), eV:	-8.36(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(iodomethyl)-3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidine-2-thione

Drug info:

PubChemData

Smile

CCCCCCC#CSC1=CC=CC=C1Br

DOS

IR

Vibrations