Geometry & MOs

Info

ID:	131259
PubChem CID:	51182713
Reduced:	FSN3O5C16H18 (1)
Stoich.:	ABC3D5E16F18 (1)
Weight, g/mol:	381.135842
ΔH_f, kcal/mol:	-236.84
Dipole, Da:	7.47
IP(EA), eV:	-9.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-methyl-5-nitro-2-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)F)CC(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations