Geometry & MOs

Info

ID:	226521
PubChem CID:	87457745
Reduced:	SO4N5F6C27H29 (1)
Stoich.:	AB4C5D6E27F29 (1)
Weight, g/mol:	104.029356
ΔH_f, kcal/mol:	-429.52
Dipole, Da:	10.33
IP(EA), eV:	-9.0(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1CC2=CC(=NC=C2)N(CCCN3CCOCC3)C(=O)C(F)(F)F)C4=CC=C(C=C4)SC(F)(F)F)C

DOS

IR

Vibrations