Geometry & MOs

Info

ID:	181617
PubChem CID:	76766917
Reduced:	NOSF3H18C24 (1)
Stoich.:	ABCD3E18F24 (1)
Weight, g/mol:	1727.886923
ΔH_f, kcal/mol:	-113.3
Dipole, Da:	2.78
IP(EA), eV:	-8.88(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC(F)(F)F)C=CC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)O

DOS

IR

Vibrations