Geometry & MOs

Info

ID:	150083
PubChem CID:	53789769
Reduced:	O4N5C10H17 (1)
Stoich.:	A4B5C10D17 (1)
Weight, g/mol:	670.416631
ΔH_f, kcal/mol:	-146.78
Dipole, Da:	12.84
IP(EA), eV:	-8.42(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,8-dihydroxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracont-3-ene-6,7-dicarboxylic acid

Drug info:

PubChemData

Smile

CN1C(=C(N(C1=O)CC(=O)O)O)CCCN=C(N)N

DOS

IR

Vibrations