Geometry & MOs

Info

ID:	252412
PubChem CID:	103111186
Reduced:	F2O2N4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	301.163771
ΔH_f, kcal/mol:	-101.89
Dipole, Da:	4.24
IP(EA), eV:	-10.11(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-3-methyl-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=C(C=CC(=C2)F)F)CN

DOS

IR

Vibrations