Geometry & MOs

Info

ID:	190717
PubChem CID:	78046862
Reduced:	FN6O8C22H35 (1)
Stoich.:	AB6C8D22E35 (1)
Weight, g/mol:	536.175458
ΔH_f, kcal/mol:	-374.1
Dipole, Da:	5.36
IP(EA), eV:	-9.75(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-amino-3-[1-carboxy-5-(phenylmethoxycarbonylamino)pentyl]-2,4,6-trioxo-1,3-diazinan-1-yl]pentanedioic acid

Drug info:

PubChemData

Smile

CN(C(CCCCNC(=O)CCCN1C=C(N=N1)CCCF)C(=O)O)C(=O)NC(CCC(=O)O)C(=O)O

DOS

IR

Vibrations