Geometry & MOs

Info

ID:

320822

PubChem CID:

126663760

Reduced:

NC15H23 (1)

Stoich.:

AB15C23 (1)

Weight, g/mol:

635.300679

ΔHf, kcal/mol:

-11.09

Dipole, Da:

1.6

IP(EA), eV:

 -8.07(0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aR,5aR,12aS)-4-(dimethylamino)-7-fluoro-1-hydroxy-8-[[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]methyl]-10-methoxy-12a-methyl-3,11-dioxo-12-phenoxy-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=C(C(=CC(=C1)C)NC(=C)C)C

DOS

IR

Vibrations