Geometry & MOs

Info

ID:	180428
PubChem CID:	76631138
Reduced:	S2O5N8C27H32 (1)
Stoich.:	A2B5C8D27E32 (1)
Weight, g/mol:	544.145027
ΔH_f, kcal/mol:	-29.33
Dipole, Da:	4.67
IP(EA), eV:	-8.15(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopropylsulfonylphenyl)-N-[6-[2-(methylamino)ethoxy]-1,3-benzothiazol-2-yl]-2-(oxolan-3-yloxyimino)acetamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)CON=C(C2=CC=C(C=C2)S(=O)(=O)C3CCOC3)C(=O)NC4=NC5=C(S4)N=C(C=C5)NCCN(C)C

DOS

IR

Vibrations