Geometry & MOs

Info

ID:	218416
PubChem CID:	85089410
Reduced:	O3N10C21H24 (1)
Stoich.:	A3B10C21D24 (1)
Weight, g/mol:	464.227099
ΔH_f, kcal/mol:	7.98
Dipole, Da:	2.37
IP(EA), eV:	-8.37(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[4-(4-carbamimidoylphenoxy)butanoylamino]-3-carboxypropanoyl]amino]heptanoic acid

Drug info:

PubChemData

Smile

COC(=O)C(CCC1=NNN=N1)NC(=O)C2=CC=C(C=C2)CCC3=CNC4=NC(=NC(=C34)N)N

DOS

IR

Vibrations