Geometry & MOs

Info

ID:	28385
PubChem CID:	827328
Reduced:	NSO2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	-29.03
Dipole, Da:	4.29
IP(EA), eV:	-8.82(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-3-[(dimethylamino)methyl]-4-phenylthian-4-ol

Drug info:

PubChemData

Smile

CN(C)CCOC1=CC2=C(C=C1)C(=O)CC3=CC=CC=C3S2

DOS

IR

Vibrations