Geometry & MOs

Info

ID:

388852

PubChem CID:

134990410

Reduced:

N6O13C49H82 (1)

Stoich.:

A6B13C49D82 (1)

Weight, g/mol:

486.152597

ΔHf, kcal/mol:

-677.17

Dipole, Da:

6.87

IP(EA), eV:

 -9.09(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,9S)-6,7,9,11-tetrahydroxy-4-methoxy-9-(4-methoxy-2,2-dimethyl-1,3-dioxolan-4-yl)-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](C)OC1C(C(OC(C1O)CO)OC2=CC=CC=C2)NC(=O)C

DOS

IR

Vibrations