Geometry & MOs

Info

ID:	122669
PubChem CID:	50816601
Reduced:	FS2O3N4H19C20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	481.064524
ΔH_f, kcal/mol:	-67.08
Dipole, Da:	3.3
IP(EA), eV:	-9.14(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C3=NN=C(S3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations