Geometry & MOs

Info

ID:	290771
PubChem CID:	110525256
Reduced:	ClSN3O3H16C17 (1)
Stoich.:	ABC3D3E16F17 (1)
Weight, g/mol:	322.10659
ΔH_f, kcal/mol:	9.8
Dipole, Da:	3.42
IP(EA), eV:	-8.9(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-oxo-N'-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1H-pyrimidine-4-carbohydrazide

Drug info:

PubChemData

Smile

CCSC1=C(C=C(C=C1)Cl)CC(=O)N/N=C\C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations