Geometry & MOs

Info

ID:	142658
PubChem CID:	53072248
Reduced:	ClSO2N4H19C21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	436.156912
ΔH_f, kcal/mol:	-1.98
Dipole, Da:	7.62
IP(EA), eV:	-8.47(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[2-(3-methylphenoxy)acetyl]pyrrolidin-2-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C3CCCN3C(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations