Geometry & MOs

Info

ID:	85538
PubChem CID:	49876628
Reduced:	SCl2N3O3C25H26 (1)
Stoich.:	AB2C3D3E25F26 (1)
Weight, g/mol:	620.0637
ΔH_f, kcal/mol:	-32.92
Dipole, Da:	4.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide;bromide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4.[Cl-]

DOS

IR

Vibrations