Geometry & MOs

Info

ID:	161432
PubChem CID:	57391668
Reduced:	ClFNSO4C20H23 (1)
Stoich.:	ABCDE4F20G23 (1)
Weight, g/mol:	332.073182
ΔH_f, kcal/mol:	-204.27
Dipole, Da:	7.76
IP(EA), eV:	-9.39(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[13-(methylamino)-6-oxo-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)OC1=CC(=CC(=C1)S(=O)(=O)C2=CC3=C(C=C2)[C@@H]4CCNC[C@@H]4O3)F.Cl

DOS

IR

Vibrations