Geometry & MOs

Info

ID:	66830
PubChem CID:	46505341
Reduced:	S2O3N4C16H16 (1)
Stoich.:	A2B3C4D16E16 (1)
Weight, g/mol:	390.064275
ΔH_f, kcal/mol:	-16.76
Dipole, Da:	10.37
IP(EA), eV:	-8.99(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-5-imino-3-(2-methylpropylsulfanyl)-6-[(4-methylsulfanylphenyl)methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC(C)CSC1=NSC2=NC(=O)C(=C(N21)N)/C=C/3\C=CC(=O)C(=C3)O

DOS

IR

Vibrations