Geometry & MOs

Info

ID:

82768

PubChem CID:

49856491

Reduced:

CuN4S4O9F12C26H28 (1)

Stoich.:

AB4C4D9E12F26G28 (1)

Weight, g/mol:

998.45649

ΔHf, kcal/mol:

-880.12

Dipole, Da:

12.43

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.251129

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S,4S,6S)-6-[11-acetyloxy-2-[(E)-but-2-en-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-6-methyl-5-phenylmethoxyoxan-2-yl]-7,12-dimethoxy-5-methyl-4-oxonaphtho[2,3-h]chromen-10-yl]-2,4-dimethyl-4-(phenylmethoxycarbonylamino)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

C1CCC(C1)N[C@@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N4CCCC4.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Cu+2]

DOS

IR

Vibrations