Geometry & MOs

Info

ID:	406111
PubChem CID:	135076586
Reduced:	OPN3H32C37 (1)
Stoich.:	ABC3D32E37 (1)
Weight, g/mol:	303.092915
ΔH_f, kcal/mol:	57.32
Dipole, Da:	2.67
IP(EA), eV:	-8.68(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-[1-(2-methoxyphenyl)ethylidene]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(P(=O)(N1CC2=CC=CC3=CC=CC=C32)/N=C/C4=CC=C(C=C4)C5=CC=CC=C5)CC6=CC=CC7=CC=CC=C76

DOS

IR

Vibrations