Geometry & MOs

Info

ID:

229969

PubChem CID:

87569741

Reduced:

ClF3N3O7H31C32 (1)

Stoich.:

AB3C3D7E31F32 (1)

Weight, g/mol:

621.08457

ΔHf, kcal/mol:

-356.16

Dipole, Da:

4.41

IP(EA), eV:

 -8.69(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,9S)-7-[4-(bromoamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CN2C(=O)C3=CC(=C(C=C3N(C2=O)C4CCN(CC4)C=O)F)OC(CF)CF)OCC5=CC(=C(C=C5)O)Cl

DOS

IR

Vibrations