Geometry & MOs

Info

ID:	193109
PubChem CID:	78345544
Reduced:	Cl2O2S2N3H11C12 (1)
Stoich.:	A2B2C2D3E11F12 (1)
Weight, g/mol:	343.128054
ΔH_f, kcal/mol:	-55.17
Dipole, Da:	5.73
IP(EA), eV:	-9.18(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1)CSC(=S)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations