Geometry & MOs

Info

ID:	446436
PubChem CID:	135274959
Reduced:	OF4N4H18C21 (1)
Stoich.:	AB4C4D18E21 (1)
Weight, g/mol:	217.095023
ΔH_f, kcal/mol:	-137.95
Dipole, Da:	2.41
IP(EA), eV:	-9.46(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=CC(=C(C(=C2)F)C(=O)N[C@@H]3CNC[C@H]3C4=CC(=C(C=C4)F)F)F

DOS

IR

Vibrations