Geometry & MOs

Info

ID:

309370

PubChem CID:

126545721

Reduced:

N3O7C24H25 (1)

Stoich.:

A3B7C24D25 (1)

Weight, g/mol:

545.200944

ΔHf, kcal/mol:

-216.88

Dipole, Da:

16.08

IP(EA), eV:

 -8.45(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-9-[(3-methoxy-2-oxopropyl)amino]-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)[C@H]1[C@@H]2C[C@@H]3CC\4=C(C(=O)C=C/C4=C/C=CN)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O

DOS

IR

Vibrations