Geometry & MOs

Info

ID:	139068
PubChem CID:	52467515
Reduced:	ON2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	385.094371
ΔH_f, kcal/mol:	-18.1
Dipole, Da:	3.86
IP(EA), eV:	-9.02(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@H](C)C(=O)NC1=NC2=CC=CC=C2C=C1

DOS

IR

Vibrations