Geometry & MOs

Info

ID:	162638
PubChem CID:	57410881
Reduced:	ClFN3C22H23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	479.92769
ΔH_f, kcal/mol:	5.8
Dipole, Da:	5.33
IP(EA), eV:	-8.18(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,3Z)-2-(6,8-dihydroxy-7-oxo-3H-1,3-benzothiazin-2-ylidene)-3-(3-hydroxy-5-iodo-4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=NC=C2CN3CCCCC3)NC4=C(C=CC(=C4)Cl)F

DOS

IR

Vibrations