Geometry & MOs

Info

ID:	209067
PubChem CID:	80618974
Reduced:	OS2N5C13H19 (1)
Stoich.:	AB2C5D13E19 (1)
Weight, g/mol:	300.08116
ΔH_f, kcal/mol:	6.1
Dipole, Da:	4.42
IP(EA), eV:	-8.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-1,3,4-thiadiazol-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCCNC1=NN=C(S1)C(=O)NC(C)C2=C(N=C(S2)C)C

DOS

IR

Vibrations