Geometry & MOs

Info

ID:	156776
PubChem CID:	56385586
Reduced:	FOSN5C17H20 (1)
Stoich.:	ABCD5E17F20 (1)
Weight, g/mol:	427.009508
ΔH_f, kcal/mol:	21.88
Dipole, Da:	5.95
IP(EA), eV:	-8.74(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCCCC2=NC(=NO2)C3=CC(=C(C=C3)C)F)C

DOS

IR

Vibrations