Geometry & MOs

Info

ID:	244707
PubChem CID:	99380970
Reduced:	N4O5C27H28 (1)
Stoich.:	A4B5C27D28 (1)
Weight, g/mol:	397.058855
ΔH_f, kcal/mol:	-90.25
Dipole, Da:	1.9
IP(EA), eV:	-8.74(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(ethylsulfamoyl)phenyl]-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CN=C4C(=C3)C=NN4CC5=C(C=C(C=C5)OC)OC

DOS

IR

Vibrations