Geometry & MOs

Info

ID:	68816
PubChem CID:	46509147
Reduced:	BrN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	413.050398
ΔH_f, kcal/mol:	-77.03
Dipole, Da:	4.35
IP(EA), eV:	-8.58(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzothiazol-2-yl)-N-[4-(methanesulfonamido)phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CO2)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations