Geometry & MOs

Info

ID:	41130
PubChem CID:	8145315
Reduced:	O2S2N4C19H22 (1)
Stoich.:	A2B2C4D19E22 (1)
Weight, g/mol:	346.073576
ΔH_f, kcal/mol:	34.54
Dipole, Da:	2.94
IP(EA), eV:	-8.51(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=S)OC(=N3)C4=CC=CS4

DOS

IR

Vibrations