Geometry & MOs

Info

ID:	122662
PubChem CID:	50816361
Reduced:	ClFSO2N4H18C21 (1)
Stoich.:	ABCD2E4F18G21 (1)
Weight, g/mol:	440.13184
ΔH_f, kcal/mol:	-35.1
Dipole, Da:	4.4
IP(EA), eV:	-9.17(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NN=C(S2)C(=O)NC3=CC=CC=C3F)C(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations