Geometry & MOs

Info

ID:	28387
PubChem CID:	827341
Reduced:	ClNOSC14H20 (1)
Stoich.:	ABCDE14F20 (1)
Weight, g/mol:	319.12177
ΔH_f, kcal/mol:	-45.28
Dipole, Da:	3.53
IP(EA), eV:	-8.68(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-[(dimethylamino)methyl]-4-[4-(trifluoromethyl)phenyl]thian-4-ol

Drug info:

PubChemData

Smile

CN(C)C[C@@H]1CSCC[C@@]1(C2=CC(=CC=C2)Cl)O

DOS

IR

Vibrations