Geometry & MOs

Info

ID:

15133

PubChem CID:

430497

Reduced:

N3O10C36H39 (1)

Stoich.:

A3B10C36D39 (1)

Weight, g/mol:

673.263544

ΔHf, kcal/mol:

-321.75

Dipole, Da:

5.72

IP(EA), eV:

 -8.84(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]benzamide

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)C6=CC=CC=C6)C)O)N(C)C)O

DOS

IR

Vibrations