Geometry & MOs

Info

ID:	167026
PubChem CID:	74768760
Reduced:	SN2F3O4H15C20 (1)
Stoich.:	AB2C3D4E15F20 (1)
Weight, g/mol:	422.147786
ΔH_f, kcal/mol:	-219.95
Dipole, Da:	6.07
IP(EA), eV:	-9.33(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 3-[4-(cyanomethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC(=C1)C(F)(F)F)C2=NC(=CS2)COC(=O)C=CC3=CC=CO3

DOS

IR

Vibrations