Geometry & MOs

Info

ID:

233669

PubChem CID:

91148449

Reduced:

ON3C13H19 (2)

Stoich.:

AB3C13D19 (2)

Weight, g/mol:

486.16383

ΔHf, kcal/mol:

-55.35

Dipole, Da:

2.8

IP(EA), eV:

 -8.56(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4S,4aR,5S,5aR,12aS)-2-carbamoyl-4-(dimethylamino)-10,12a-dihydroxy-6-methyl-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracen-5-yl] acetate

Drug info:

PubChemData

Smile

CCC(C)CN1CCC2=C(C1)N=C(N=C2N3CCOCC3C)C4=CC=C(C=C4)NC(=O)NCC

DOS

IR

Vibrations