Geometry & MOs

Info

ID:	141972
PubChem CID:	52960197
Reduced:	O3N4C25H29 (1)
Stoich.:	A3B4C25D29 (1)
Weight, g/mol:	368.063092
ΔH_f, kcal/mol:	-50.91
Dipole, Da:	5.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.311185
Charge, e:	0

Chem-info

IUPAC name:

N-(6-fluoro-7aH-1,3-benzothiazol-2-ylidene)-6,8-dimethyl-4-oxochromene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCN3C2=CC(=[N+]4CCN(CC4)CC5=CC=CC=C5)NC3=O)OC

DOS

IR

Vibrations