Geometry & MOs

Info

ID:	162128
PubChem CID:	57393701
Reduced:	PN4O4C12H19 (1)
Stoich.:	AB4C4D12E19 (1)
Weight, g/mol:	537.229742
ΔH_f, kcal/mol:	-183.33
Dipole, Da:	11.84
IP(EA), eV:	-9.25(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-3-[3-(diethylamino)propyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=NC(=O)C2=C(N1)N(C=N2)CCCCCCCP(=O)(O)O

DOS

IR

Vibrations