Geometry & MOs

Info

ID:	26517
PubChem CID:	650768
Reduced:	FN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	235.077933
ΔH_f, kcal/mol:	-77.65
Dipole, Da:	6.26
IP(EA), eV:	-8.18(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4

DOS

IR

Vibrations