Geometry & MOs

Info

ID:	82613
PubChem CID:	49856245
Reduced:	BrFPO2N4H23C24 (1)
Stoich.:	ABCD2E4F23G24 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-52.87
Dipole, Da:	4.17
IP(EA), eV:	-8.83(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[bis(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CP1(=O)CCN(CC1)CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=C(C=C(C=C5)Br)F

DOS

IR

Vibrations