Geometry & MOs

Info

ID:

15585

PubChem CID:

444987

Reduced:

NO11C27H31 (1)

Stoich.:

AB11C27D31 (1)

Weight, g/mol:

545.189711

ΔHf, kcal/mol:

-435.5

Dipole, Da:

10.5

IP(EA), eV:

 -7.93(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2S,4S)-4-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,6,11,12-pentahydroxy-7-methoxy-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C5=C(C(=CC=C5)OC)C(=C4C(=C23)O)O)O)O)(C(=O)CO)O)N)O

DOS

IR

Vibrations