Geometry & MOs

Info

ID:	179581
PubChem CID:	76503355
Reduced:	N4O5H24C27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	489.164833
ΔH_f, kcal/mol:	-110.81
Dipole, Da:	4.12
IP(EA), eV:	-9.49(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroazet-2-yl-[3,4,5-tris(azet-2-yl)-3,4,5-trihydroxy-6-(4-methylanilino)oxyoxan-2-yl]methanone

Drug info:

PubChemData

Smile

C1C(C(=O)N(C1C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4C(=O)N)CC(=O)O

DOS

IR

Vibrations