Geometry & MOs

Info

ID:	85519
PubChem CID:	49876331
Reduced:	OCl2N3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	593.198929
ΔH_f, kcal/mol:	30.11
Dipole, Da:	2.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.125289
Charge, e:	-1

Chem-info

IUPAC name:

3-(benzylsulfamoyl)-N-[bis[4-(dimethylamino)phenyl]methylidene]benzamide;chloride;hydrate

Drug info:

PubChemData

Smile

CCN(CC)CCN1CC2=CC(=C3C=CC=NC3=C2OC1)Cl.[Cl-]

DOS

IR

Vibrations