Geometry & MOs

Info

ID:

160582

PubChem CID:

57389125

Reduced:

F2N5O5C25H25 (1)

Stoich.:

A2B5C5D25E25 (1)

Weight, g/mol:

547.204254

ΔHf, kcal/mol:

-192.25

Dipole, Da:

6.99

IP(EA), eV:

 -9.62(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-1-[[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoacetyl]amino]-5,6-dioxo-3,7-diazatricyclo[7.2.2.02,7]tridec-2-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NC23CCC(CC2)(CN4C3=NC(C(=O)C4=O)C(=O)NCC5=CC(=C(C=C5)F)C)F

DOS

IR

Vibrations