Geometry & MOs

Info

ID:	43748
PubChem CID:	10321734
Reduced:	F3N6C24H25 (1)
Stoich.:	A3B6C24D25 (1)
Weight, g/mol:	454.098728
ΔH_f, kcal/mol:	-59.94
Dipole, Da:	7.98
IP(EA), eV:	-9.18(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(benzenesulfonyl)-6-methoxy-10,20-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-21-one

Drug info:

PubChemData

Smile

C1CCN2C(=C(C3=C2C(=NC=N3)N4CCN(CC4)CCC5=CC(=CC=C5)C(F)(F)F)C#N)C1

DOS

IR

Vibrations