Geometry & MOs

Info

ID:	89812
PubChem CID:	49964807
Reduced:	N2O3C22H22 (1)
Stoich.:	A2B3C22D22 (1)
Weight, g/mol:	432.03685
ΔH_f, kcal/mol:	-77.16
Dipole, Da:	2.71
IP(EA), eV:	-8.55(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trimethyl-[3-[(4-methylphenyl)sulfonylamino]phenyl]azanium;iodide

Drug info:

PubChemData

Smile

CC1(CC2=C(C(NC3=C(N2)C=C(C=C3)C(=O)O)C4=CC=CC=C4)C(=O)C1)C

DOS

IR

Vibrations