Geometry & MOs

Info

ID:	446521
PubChem CID:	135275640
Reduced:	O3N5C31H39 (1)
Stoich.:	A3B5C31D39 (1)
Weight, g/mol:	696.25456
ΔH_f, kcal/mol:	-43.5
Dipole, Da:	5.88
IP(EA), eV:	-8.26(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxooxepan-3-yl) 10-methyl-3-[9-methyl-10-[(2-oxooxepan-3-yl)sulfanylmethyl]anthracen-2-yl]anthracene-9-carboxylate

Drug info:

PubChemData

Smile

CCN(C1=C(C(=C(C=C1)C(CC(=O)N(C)O)C2=CC3=C(CCN(C3)C(=O)C4=CC(=C(C=C4)C)C)C=C2)C)N)N

DOS

IR

Vibrations