Geometry & MOs

Info

ID:	139197
PubChem CID:	52490019
Reduced:	SCl2O2N3C15H17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	430.993189
ΔH_f, kcal/mol:	-17.47
Dipole, Da:	6.63
IP(EA), eV:	-9.11(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(2,4-dichlorophenoxy)-3-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)SC[C@@H](COC3=C(C=CC(=C3)Cl)Cl)O

DOS

IR

Vibrations