Geometry & MOs

Info

ID:	46060
PubChem CID:	10520959
Reduced:	FNCl2O2H10C16 (1)
Stoich.:	ABC2D2E10F16 (1)
Weight, g/mol:	338.151158
ΔH_f, kcal/mol:	-91.23
Dipole, Da:	3.97
IP(EA), eV:	-9.55(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(butylsulfonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

C1CN(C2=C(C1=O)C=CC(=C2)F)C(=O)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations