Geometry & MOs

Info

ID:	144344
PubChem CID:	53352743
Reduced:	ClOSN3C24H25 (1)
Stoich.:	ABCD3E24F25 (1)
Weight, g/mol:	508.113151
ΔH_f, kcal/mol:	32.77
Dipole, Da:	4.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.430367
Charge, e:	-1

Chem-info

IUPAC name:

3-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide;chloride

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)SC(=N2)N(CCN(C)C)C(=O)C3=CC4=CC=CC=C4C=C3)C.[Cl-]

DOS

IR

Vibrations