Geometry & MOs

Info

ID:	174315
PubChem CID:	75750555
Reduced:	NO4C24H26 (1)
Stoich.:	AB4C24D26 (1)
Weight, g/mol:	439.024481
ΔH_f, kcal/mol:	-119.39
Dipole, Da:	2.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.087199
Charge, e:	-1

Chem-info

IUPAC name:

2-[1-(1,3-benzothiazol-2-yl)-2-[4-(1,3-thiazol-4-ylmethoxy)phenyl]ethenyl]sulfanylacetate

Drug info:

PubChemData

Smile

CC1=C2CCC(=[NH+]C(=O)C(C)C3=CC4=C(C=C3)C=C(C=C4)OC)CC2OC(=C1)O

DOS

IR

Vibrations