Geometry & MOs

Info

ID:	81694
PubChem CID:	49855021
Reduced:	ON2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	522.139548
ΔH_f, kcal/mol:	-19.58
Dipole, Da:	3.41
IP(EA), eV:	-7.83(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-2-methyl-1,3-benzothiazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)CCCC2C3=CC=CC=C3NC2=O

DOS

IR

Vibrations