Geometry & MOs

Info

ID:	66819
PubChem CID:	46505324
Reduced:	S2N4O4H18C21 (1)
Stoich.:	A2B4C4D18E21 (1)
Weight, g/mol:	362.067132
ΔH_f, kcal/mol:	-22.65
Dipole, Da:	10.44
IP(EA), eV:	-8.98(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[(4-fluorophenyl)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=CC=C(O3)C4=CC(=CC=C4)C(=O)O)/C(=N)N21

DOS

IR

Vibrations