Geometry & MOs

Info

ID:	49299
PubChem CID:	11532715
Reduced:	ClFN2O5H22C23 (1)
Stoich.:	ABC2D5E22F23 (1)
Weight, g/mol:	461.107913
ΔH_f, kcal/mol:	-222.74
Dipole, Da:	10.2
IP(EA), eV:	-9.3(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl] 4-[(2-hydroxy-2-methylpropyl)amino]benzenesulfonate

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCC1=C2C=CC(=CN2C(=O)C(=C1)C(=O)O)CC3=C(C(=CC=C3)Cl)F)OC

DOS

IR

Vibrations