Geometry & MOs

Info

ID:	268413
PubChem CID:	103599288
Reduced:	ON3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	445.127169
ΔH_f, kcal/mol:	80.01
Dipole, Da:	7.98
IP(EA), eV:	-9.15(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CCNC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations