Geometry & MOs

Info

ID:

328797

PubChem CID:

126727883

Reduced:

FSN3C14H16 (1)

Stoich.:

ABC3D14E16 (1)

Weight, g/mol:

1136.631041

ΔHf, kcal/mol:

5.26

Dipole, Da:

3.6

IP(EA), eV:

-8.23(-0.34)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[(3S,6S)-6-[[[(2S,6S)-6-[[[(2S)-4-[2-[2-(10-methoxy-5-methyl-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17)-heptaen-15-yl)ethyl-methylamino]ethylamino]-3-oxobutan-2-yl]amino]methylamino]-8-methyl-3,5-dioxononan-2-yl]amino]methylamino]-2,8-dimethyl-4,5-dioxononan-3-yl]carbamate

Drug info:

PubChemData

Smile

C/C(=C\C=C(/C)\SCC1=NC2=C(N1)C=C(C=C2)N)/F

DOS

IR

Vibrations