Geometry & MOs

Info

ID:	53549
PubChem CID:	14716585
Reduced:	N6C31H32 (1)
Stoich.:	A6B31C32 (1)
Weight, g/mol:	854.429488
ΔH_f, kcal/mol:	186.07
Dipole, Da:	3.31
IP(EA), eV:	-8.89(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4,5-dihydroxy-8-[[4-(4-octylphenyl)benzoyl]amino]-9,10-dioxoanthracen-1-yl]-4-(4-octylphenyl)benzamide

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(N4C(=N3)N=CC=N4)N=NC5=CC=CC=C5

DOS

IR

Vibrations