Geometry & MOs

Info

ID:	59018
PubChem CID:	24770329
Reduced:	O7H32C37 (1)
Stoich.:	A7B32C37 (1)
Weight, g/mol:	421.128312
ΔH_f, kcal/mol:	-143.8
Dipole, Da:	5.82
IP(EA), eV:	-8.33(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxyethyl (Z)-2-cyano-4-methyl-3-[[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]methylamino]pent-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C(=C1)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)OC5=CC(=C(C=C52)OC)OCC6=CC=CC=C6

DOS

IR

Vibrations