Geometry & MOs

Info

ID:	242836
PubChem CID:	99213277
Reduced:	ClFS2O3N4H18C19 (1)
Stoich.:	ABC2D3E4F18G19 (1)
Weight, g/mol:	455.118274
ΔH_f, kcal/mol:	-82.85
Dipole, Da:	8.19
IP(EA), eV:	-9.41(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)NC2=NN=C(S2)C3=CC=CC=C3Cl

DOS

IR

Vibrations