Geometry & MOs

Info

ID:	406477
PubChem CID:	135077738
Reduced:	NNaSO10C16H24 (1)
Stoich.:	ABCD10E16F24 (1)
Weight, g/mol:	425.104542
ΔH_f, kcal/mol:	-433.28
Dipole, Da:	17.03
IP(EA), eV:	-9.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[(3-methoxyphenyl)-(3-nitrophenyl)methylidene]amino]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1C2CC(C1C=C2)C(=O)NCCOC3C(C(C(C(O3)CO)O)OS(=O)(=O)[O-])O.[Na+]

DOS

IR

Vibrations