Geometry & MOs

Info

ID:	203383
PubChem CID:	79821570
Reduced:	SN4C9H12 (1)
Stoich.:	AB4C9D12 (1)
Weight, g/mol:	299.067284
ΔH_f, kcal/mol:	54.16
Dipole, Da:	4.91
IP(EA), eV:	-8.6(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CSCCC1=NC2=C(N1)C=CC(=N2)N

DOS

IR

Vibrations