Geometry & MOs

Info

ID:	165768
PubChem CID:	74595245
Reduced:	FSO3N4C17H17 (1)
Stoich.:	ABC3D4E17F17 (1)
Weight, g/mol:	456.189651
ΔH_f, kcal/mol:	-70.65
Dipole, Da:	1.96
IP(EA), eV:	-9.09(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=CS2)C(=O)NNC(=O)C=CC3=CC(=CC=C3)F

DOS

IR

Vibrations