Geometry & MOs

Info

ID:

177338

PubChem CID:

76169174

Reduced:

NO3C20H23 (1)

Stoich.:

AB3C20D23 (1)

Weight, g/mol:

743.337772

ΔHf, kcal/mol:

-110.94

Dipole, Da:

5.56

IP(EA), eV:

 -8.98(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[2-[[9-carbamoyl-4,7-bis(dimethylamino)-1,10,10a,12-tetrahydroxy-8,11-dioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]amino]-2-oxoethyl]-propylcarbamoyl]oxymethyl 3,3-dimethylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C2=C(C3C(=NC2=O)CC(CC3=O)(C)C)O)C

DOS

IR

Vibrations