Geometry & MOs

Info

ID:

49867

PubChem CID:

11534049

Reduced:

ClF3O4N5H21C25 (1)

Stoich.:

AB3C4D5E21F25 (1)

Weight, g/mol:

548.25095

ΔHf, kcal/mol:

-229.07

Dipole, Da:

10.45

IP(EA), eV:

 -8.52(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,2R,3R,4S,5R)-N-[(3S)-1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-oxoazepan-3-yl]-3,4,5-trihydroxy-2-methoxy-8-methyldec-6-enamide

Drug info:

PubChemData

Smile

CC(=O)CC(=O)NCCN1C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC(=CC=C4)OC(F)(F)F)Cl

DOS

IR

Vibrations