Geometry & MOs

Info

ID:

327645

PubChem CID:

126690605

Reduced:

F3N4O6H31C35 (1)

Stoich.:

A3B4C6D31E35 (1)

Weight, g/mol:

317.094646

ΔHf, kcal/mol:

-271.79

Dipole, Da:

8.63

IP(EA), eV:

 -9.35(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(7,8-dimethyl-8-oxo-8lambda6-thia-2,7,9-triazabicyclo[4.3.0]nona-1(6),2,4,8-tetraen-4-yl)pyridin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)C3=CC=C(C=C3)CN(CC(O)O)C(=O)C4=CC=C(C=C4)NC(=O)CC5=C(C=C(C=C5)OC)C(F)(F)F

DOS

IR

Vibrations