Geometry & MOs

Info

ID:	312528
PubChem CID:	126606275
Reduced:	HNS2O4F14C20 (1)
Stoich.:	ABC2D4E14F20 (1)
Weight, g/mol:	395.988447
ΔH_f, kcal/mol:	-667.29
Dipole, Da:	5.21
IP(EA), eV:	-10.29(-2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-N-(3-nitropentan-3-yl)-N-(trifluoromethylsulfonyl)methanesulfonamide

Drug info:

PubChemData

Smile

C12=C(C(=C(C(=C1F)F)F)F)C(=C(C(=C2F)F)F)S(=O)(=O)NS(=O)(=O)C3=C(C(=C(C4=C3C(=C(C(=C4F)F)F)F)F)F)F

DOS

IR

Vibrations