Geometry & MOs

Info

ID:	39969
PubChem CID:	8143302
Reduced:	BrO2N3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	293.035794
ΔH_f, kcal/mol:	26.22
Dipole, Da:	8.01
IP(EA), eV:	-9.02(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylphenyl) 4-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)Br)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

DOS

IR

Vibrations