Geometry & MOs

Info

ID:	66812
PubChem CID:	46505310
Reduced:	SN2O2C8H8 (2)
Stoich.:	AB2C2D8E8 (2)
Weight, g/mol:	402.082033
ΔH_f, kcal/mol:	-35.64
Dipole, Da:	9.07
IP(EA), eV:	-8.58(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-3-ethylsulfanyl-5-imino-6-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCSC1=NSC2=NC(=O)C(=C(N21)N)C=C3C=C(C(=O)C(=C3)OC)OC

DOS

IR

Vibrations