Geometry & MOs

Info

ID:	81416
PubChem CID:	49854701
Reduced:	SN3O4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	508.123898
ΔH_f, kcal/mol:	-78.7
Dipole, Da:	8.48
IP(EA), eV:	-8.15(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-1,3-benzothiazole-6-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations