Geometry & MOs

Info

ID:

15116

PubChem CID:

429837

Reduced:

S2N3O10C30H31 (1)

Stoich.:

A2B3C10D30E31 (1)

Weight, g/mol:

657.145087

ΔHf, kcal/mol:

-329.65

Dipole, Da:

7.22

IP(EA), eV:

 -8.96(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-9-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CSC6=NN=C(S6)C)O)N)O

DOS

IR

Vibrations