Geometry & MOs

Info

ID:	60412
PubChem CID:	26684831
Reduced:	FSN2O2H15C17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	454.210387
ΔH_f, kcal/mol:	-62.3
Dipole, Da:	3.81
IP(EA), eV:	-9.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-3-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(C(=S)N1)CC2=CC=C(C=C2)OC3=CC=C(C=C3)F

DOS

IR

Vibrations