Geometry & MOs

Info

ID:	140069
PubChem CID:	52639572
Reduced:	FO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	422.93315
ΔH_f, kcal/mol:	-69.78
Dipole, Da:	3.51
IP(EA), eV:	-8.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-phenylphenyl) 5-bromo-2-chloropyridine-3-sulfonate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CN(N=C2)CCOC)F

DOS

IR

Vibrations