Geometry & MOs

Info

ID:	158170
PubChem CID:	56463092
Reduced:	SCl2N3O4H19C22 (1)
Stoich.:	AB2C3D4E19F22 (1)
Weight, g/mol:	322.207885
ΔH_f, kcal/mol:	-110.77
Dipole, Da:	5.75
IP(EA), eV:	-8.66(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations