Geometry & MOs

Info

ID:

309366

PubChem CID:

126545687

Reduced:

SN2O3C19H22 (1)

Stoich.:

AB2C3D19E22 (1)

Weight, g/mol:

484.184566

ΔHf, kcal/mol:

-19.14

Dipole, Da:

2.68

IP(EA), eV:

 -8.85(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aS,5S,5aR,6R,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-5-(2-oxopropyl)-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@](C)(C[C@H]1CC(=NO1)C2=CC=C(C=C2)C3=CSC=C3)C(=O)NO

DOS

IR

Vibrations