Geometry & MOs

Info

ID:	122679
PubChem CID:	50816874
Reduced:	ClN3O3C22H30 (1)
Stoich.:	AB3C3D22E30 (1)
Weight, g/mol:	390.152575
ΔH_f, kcal/mol:	-133.68
Dipole, Da:	5.63
IP(EA), eV:	-8.85(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCCCNC(=O)CC1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)Cl

DOS

IR

Vibrations