Geometry & MOs

Info

ID:

45192

PubChem CID:

10509011

Reduced:

SO3N5H10F17C19 (1)

Stoich.:

AB3C5D10E17F19 (1)

Weight, g/mol:

713.342463

ΔHf, kcal/mol:

-876.79

Dipole, Da:

2.12

IP(EA), eV:

 -9.62(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl 4-[3-[[2-[(4S,7S)-4-(2-methoxy-2-oxoethyl)-3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-5-yl]acetyl]amino]propylcarbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=NC(=NC=C2)NC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)N

DOS

IR

Vibrations