Geometry & MOs

Info

ID:	41789
PubChem CID:	8147115
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	344.06532
ΔH_f, kcal/mol:	-72.32
Dipole, Da:	3.26
IP(EA), eV:	-8.35(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzothiazol-2-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2CN(CCC2=C1)[C@H](C)C3=NC(=O)C4=CC=CC=C4N3)OCC

DOS

IR

Vibrations