Geometry & MOs

Info

ID:	433745
PubChem CID:	135173886
Reduced:	SF3O6N10C47H47 (1)
Stoich.:	AB3C6D10E47F47 (1)
Weight, g/mol:	170.076536
ΔH_f, kcal/mol:	-225.54
Dipole, Da:	7.9
IP(EA), eV:	-8.2(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCN5CCN(CC5)C6=CC=C(C=C6)C7=CC8=C(NC=C8C(=O)C9=C(C=CC(=C9F)NS(=O)N1CCC(C1)F)F)N=C7

DOS

IR

Vibrations