Geometry & MOs

Info

ID:	68971
PubChem CID:	46514394
Reduced:	OSF3N5C24H24 (1)
Stoich.:	ABC3D5E24F24 (1)
Weight, g/mol:	445.146013
ΔH_f, kcal/mol:	-91.69
Dipole, Da:	11.25
IP(EA), eV:	-9.47(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(9-oxoacridin-10-yl)acetyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CC3=C(N4C(=NC(=N4)C(F)(F)F)N=C3C)C

DOS

IR

Vibrations