Geometry & MOs

Info

ID:	159028
PubChem CID:	57244588
Reduced:	BrF2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	619.319226
ΔH_f, kcal/mol:	-186.31
Dipole, Da:	4.69
IP(EA), eV:	-10.0(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzhydryl-4-[[2-(heptylcarbamoylamino)-5-[methyl(sulfino)amino]benzoyl]amino]piperidine

Drug info:

PubChemData

Smile

CCC=C(C(=O)C1=CC(=C(C=C1Br)F)F)C(=O)OCC

DOS

IR

Vibrations