Geometry & MOs

Info

ID:	81697
PubChem CID:	49855024
Reduced:	SN4O4C28H28 (1)
Stoich.:	AB4C4D28E28 (1)
Weight, g/mol:	527.103018
ΔH_f, kcal/mol:	-45.69
Dipole, Da:	11.06
IP(EA), eV:	-8.64(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-2,1,3-benzoxadiazole-7-sulfonamide

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC)S(=O)(=O)C4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations