Geometry & MOs

Info

ID:	324303
PubChem CID:	126677389
Reduced:	ClN2O4C16H19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	571.266043
ΔH_f, kcal/mol:	-61.32
Dipole, Da:	3.07
IP(EA), eV:	-9.04(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-butanoyloxy-3-[2-[2-chloro-4-[2-(diethylamino)ethylcarbamoyl]-5-methoxyanilino]-2-oxoethoxy]propyl] butanoate

Drug info:

PubChemData

Smile

C1CC(=C(C=C1)Cl)CN2C3C=C(CCC3OCC2=O)C(=O)NO

DOS

IR

Vibrations