Geometry & MOs

Info

ID:	404613
PubChem CID:	135067747
Reduced:	NSO2H21C25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	309.055656
ΔH_f, kcal/mol:	17.91
Dipole, Da:	6.44
IP(EA), eV:	-8.41(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-pyridin-2-ylphenyl) 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C4=CC=CC=C4C3=C2)C5=CC=CC=C5

DOS

IR

Vibrations