Geometry & MOs

Info

ID:	122263
PubChem CID:	50800405
Reduced:	BrFN5H17C20 (1)
Stoich.:	ABC5D17E20 (1)
Weight, g/mol:	330.04967
ΔH_f, kcal/mol:	75.21
Dipole, Da:	4.96
IP(EA), eV:	-9.14(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC(=N2)CC3=CC(=CC=C3)F)N=C1C)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations