Geometry & MOs

Info

ID:	61049
PubChem CID:	26704739
Reduced:	FNSO5H18C22 (1)
Stoich.:	ABCD5E18F22 (1)
Weight, g/mol:	496.100575
ΔH_f, kcal/mol:	-158.77
Dipole, Da:	4.17
IP(EA), eV:	-8.64(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-3-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)OC(=O)[C@H]2CC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4F

DOS

IR

Vibrations