Geometry & MOs

Info

ID:	375574
PubChem CID:	134213999
Reduced:	NSO2F6C19H19 (1)
Stoich.:	ABC2D6E19F19 (1)
Weight, g/mol:	226.98071
ΔH_f, kcal/mol:	-373.67
Dipole, Da:	6.3
IP(EA), eV:	-10.34(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-4-(methylamino)butan-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)S(=O)(=O)C(F)(F)F)C2=CC(=NC=C2C(F)(F)F)C(C)(C)C

DOS

IR

Vibrations