Geometry & MOs

Info

ID:

169121

PubChem CID:

75067503

Reduced:

N4O4C19H29 (2)

Stoich.:

A4B4C19D29 (2)

Weight, g/mol:

858.227219

ΔHf, kcal/mol:

-349.83

Dipole, Da:

8.55

IP(EA), eV:

 -9.4(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyano-3-(4-hydroxyphenyl)-6-[2-oxo-2-[2,5,12-trihydroxy-4-(5-hydroxy-6-methyl-4-pyrrol-1-yloxan-2-yl)oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethoxy]carbonylbenzoic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NC1CC1)NC(=O)C2CN(CC2NC(=O)C(C(C)(C)C)NC(=O)C(C3CCCCC3)NC(=O)C4=NC=CN=C4)C(=O)OC(C)(C)C

DOS

IR

Vibrations