Geometry & MOs

Info

ID:	132744
PubChem CID:	51411997
Reduced:	ClSO3N4C19H19 (1)
Stoich.:	ABC3D4E19F19 (1)
Weight, g/mol:	396.063875
ΔH_f, kcal/mol:	-49.75
Dipole, Da:	4.37
IP(EA), eV:	-8.85(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[6-chloro-3-(4-methoxyphenyl)-4-oxochromen-2-yl]-[furan-2-yl(hydroxy)methylidene]azanium

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/NC(=S)NC1=CC=C(C=C1)Cl)/C(=O)NNC2=CC=CC=C2

DOS

IR

Vibrations