Geometry & MOs

Info

ID:	182103
PubChem CID:	76841793
Reduced:	OF2N6C28H34 (1)
Stoich.:	AB2C6D28E34 (1)
Weight, g/mol:	518.13253
ΔH_f, kcal/mol:	-8.99
Dipole, Da:	9.4
IP(EA), eV:	-7.97(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3-dihydro-1,3-benzoxazol-6-ylmethylidene)-1,5,10,11,12a-pentahydroxy-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=C(C3=NC(=C4C5CCC(CC5NN4)OCC6=CC=CC=C6)N=C3C=C2F)F

DOS

IR

Vibrations