Geometry & MOs

Info

ID:	401315
PubChem CID:	135050893
Reduced:	BrNO3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	241.077265
ΔH_f, kcal/mol:	-60.58
Dipole, Da:	2.44
IP(EA), eV:	-9.55(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-methoxyethyl)-1-(4-methylphenyl)sulfonylmethanimine

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/C1=CC=CC=C1)\Br)/NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations