Geometry & MOs

Info

ID:	195921
PubChem CID:	78748992
Reduced:	ClFNO3H19C20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	431.242021
ΔH_f, kcal/mol:	-140.99
Dipole, Da:	3.79
IP(EA), eV:	-9.33(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[di(butan-2-yl)amino]-2-oxoethyl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate

Drug info:

PubChemData

Smile

CN(C1CCCC2=CC=CC=C12)C(=O)COC(=O)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations