Geometry & MOs

Info

ID:	66821
PubChem CID:	46505329
Reduced:	S2O3N5H15C16 (1)
Stoich.:	A2B3C5D15E16 (1)
Weight, g/mol:	388.066383
ΔH_f, kcal/mol:	64.97
Dipole, Da:	9.04
IP(EA), eV:	-9.03(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-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(C=C3)[N+](=O)[O-])/C(=N)N21

DOS

IR

Vibrations