Geometry & MOs

Info

ID:	146826
PubChem CID:	53755652
Reduced:	SCl2O4N6C34H46 (1)
Stoich.:	AB2C4D6E34F46 (1)
Weight, g/mol:	517.136209
ΔH_f, kcal/mol:	-48.65
Dipole, Da:	10.51
IP(EA), eV:	-8.45(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chloro-2,5-difluorophenyl)methoxy]-5-(5-morpholin-4-ylpentylcarbamoylamino)-1,2-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC(=C(C=C1)OCCCCCCCC)OS(=O)NCC2=NN=C3N2NC(=C3N=C4C=C(C(=O)C(=C4)Cl)Cl)C

DOS

IR

Vibrations