Geometry & MOs

Info

ID:	85136
PubChem CID:	49872031
Reduced:	OF2N5H13C17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	394.062343
ΔH_f, kcal/mol:	22.54
Dipole, Da:	10.23
IP(EA), eV:	-8.83(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetyloxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=C2C=C(C=CC2=NN1)C3C(=C(N=C4C3=C(NO4)C)C(F)F)C#N

DOS

IR

Vibrations