Geometry & MOs

Info

ID:

435753

PubChem CID:

135192343

Reduced:

F2O3N5C23H29 (1)

Stoich.:

A2B3C5D23E29 (1)

Weight, g/mol:

557.194216

ΔHf, kcal/mol:

-179.4

Dipole, Da:

5.2

IP(EA), eV:

 -9.29(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-(aminomethylidene)-10-[4-[5-chloro-2-(1,3-oxazol-2-yl)phenyl]-6-oxopyrimidin-1-yl]-6-methyl-2-methylimino-4,12-diazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-5-one

Drug info:

PubChemData

Smile

CC1CCCC(C2=CC(=C(C=C2)C=N)C3=C(C=NN3C(F)F)NC1=O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations