Geometry & MOs

Info

ID:	122658
PubChem CID:	50816349
Reduced:	SCl2O2N5H19C21 (1)
Stoich.:	AB2C2D5E19F21 (1)
Weight, g/mol:	451.167811
ΔH_f, kcal/mol:	-4.83
Dipole, Da:	4.25
IP(EA), eV:	-8.8(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(4-ethoxyphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NN=C(S2)C(=O)NC3=CC(=CC=C3)Cl)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations