Geometry & MOs

Info

ID:	130587
PubChem CID:	51091392
Reduced:	S2N5C16H17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	320.076553
ΔH_f, kcal/mol:	123.53
Dipole, Da:	4.36
IP(EA), eV:	-8.49(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(S2)SCC3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations