Geometry & MOs

Info

ID:	63524
PubChem CID:	26758550
Reduced:	FN2O4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	352.14345
ΔH_f, kcal/mol:	-180.7
Dipole, Da:	6.09
IP(EA), eV:	-9.93(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(butylcarbamoylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations