Geometry & MOs

Info

ID:	66822
PubChem CID:	46505330
Reduced:	S2O3N4H16C17 (1)
Stoich.:	A2B3C4D16E17 (1)
Weight, g/mol:	378.037581
ΔH_f, kcal/mol:	4.86
Dipole, Da:	5.29
IP(EA), eV:	-8.84(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CSC1=NSC2=NC(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/C(=N)N21

DOS

IR

Vibrations