Geometry & MOs

Info

ID:	404448
PubChem CID:	135066307
Reduced:	BrOF3C13H22 (1)
Stoich.:	ABC3D13E22 (1)
Weight, g/mol:	428.086449
ΔH_f, kcal/mol:	-254.71
Dipole, Da:	4.01
IP(EA), eV:	-10.39(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(E)-2-(benzenesulfonyl)ethenyl]phenyl]methyl]-N-methylpyridine-2-sulfonamide

Drug info:

PubChemData

Smile

C(CCCCBr)CCCC(=O)CCCC(F)(F)F

DOS

IR

Vibrations