Geometry & MOs

Info

ID:	190801
PubChem CID:	78059216
Reduced:	FON7H20C21 (1)
Stoich.:	ABC7D20E21 (1)
Weight, g/mol:	576.243143
ΔH_f, kcal/mol:	93.5
Dipole, Da:	4.88
IP(EA), eV:	-9.18(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[5-(benzylcarbamoylamino)-1-carboxypentyl]-5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl]pentanedioic acid

Drug info:

PubChemData

Smile

CNCC1=CC=C(C=C1)C2C(C3=C4C(C=C(C=C4CN2)F)C(=O)N=N3)C5=NC=NN5

DOS

IR

Vibrations