Geometry & MOs

Info

ID:

325899

PubChem CID:

126685479

Reduced:

ClSF3N5O5C34H37 (1)

Stoich.:

ABC3D5E5F34G37 (1)

Weight, g/mol:

626.338067

ΔHf, kcal/mol:

-254.56

Dipole, Da:

9.19

IP(EA), eV:

 -9.42(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-N-[5-[3-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-5-fluoro-2-(hydroxymethyl)phenyl]-1-methyl-2-oxopyridin-3-yl]-N'-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]penta-2,4-dienimidamide

Drug info:

PubChemData

Smile

CC(C1=CN=CC(=C1)[C@H](C2=CC=C(C=C2)Cl)[C@@H](C(=O)NC3=C(C(=CC=C3)F)CCC4CNC(CCCS(=O)(=O)N4)C#C)NC(=O)OC)(F)F

DOS

IR

Vibrations