Geometry & MOs

Info

ID:	55560
PubChem CID:	17395550
Reduced:	SN2O3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	286.092204
ΔH_f, kcal/mol:	-50.9
Dipole, Da:	6.65
IP(EA), eV:	-8.41(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations