Geometry & MOs

Info

ID:	193550
PubChem CID:	78405654
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	275.072848
ΔH_f, kcal/mol:	21.31
Dipole, Da:	5.26
IP(EA), eV:	-8.76(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzodioxol-5-yl)-1,3,4,4a,5,6-hexahydropyrrolo[2,3-d]pyrimidine-2-thione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C(=O)C(=NC2=S)C=C3CC(NN3)C

DOS

IR

Vibrations