Geometry & MOs

Info

ID:	166990
PubChem CID:	74762040
Reduced:	SN2O3H20C23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	439.039355
ΔH_f, kcal/mol:	2.75
Dipole, Da:	5.25
IP(EA), eV:	-8.79(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CO3)C(=O)C=CC4=CC=CC=C4

DOS

IR

Vibrations