Geometry & MOs

Info

ID:	444617
PubChem CID:	135263029
Reduced:	SN2O5C27H28 (1)
Stoich.:	AB2C5D27E28 (1)
Weight, g/mol:	488.04054
ΔH_f, kcal/mol:	-149.81
Dipole, Da:	6.37
IP(EA), eV:	-9.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4-methylphenyl)-(5-methylfuran-2-yl)methyl]-2-(2,2-dioxo-1,3-dihydro-2,1-benzothiazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CC4=C(C=C3)NC=C4C(=O)CS(=O)(=O)C)C

DOS

IR

Vibrations