Geometry & MOs

Info

ID:	139069
PubChem CID:	52467516
Reduced:	SN3O7C15H19 (1)
Stoich.:	AB3C7D15E19 (1)
Weight, g/mol:	385.094371
ΔH_f, kcal/mol:	-123.92
Dipole, Da:	3.36
IP(EA), eV:	-10.42(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dinitrobenzamide

Drug info:

PubChemData

Smile

CCCCN([C@@H]1CCS(=O)(=O)C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations