Geometry & MOs

Info

ID:	124066
PubChem CID:	50871742
Reduced:	Cl2N2S2O5H16C24 (1)
Stoich.:	A2B2C2D5E16F24 (1)
Weight, g/mol:	378.078662
ΔH_f, kcal/mol:	-12.25
Dipole, Da:	5.67
IP(EA), eV:	-8.9(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC(=CC=C3)[N+](=O)[O-])OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations