Geometry & MOs

Info

ID:	28386
PubChem CID:	827331
Reduced:	NOSC14H21 (1)
Stoich.:	ABCD14E21 (1)
Weight, g/mol:	285.095413
ΔH_f, kcal/mol:	-32.18
Dipole, Da:	2.6
IP(EA), eV:	-8.67(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(3-chlorophenyl)-3-[(dimethylamino)methyl]thian-4-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations