Geometry & MOs

Info

ID:	243838
PubChem CID:	99289117
Reduced:	SN2F3O4C13H17 (1)
Stoich.:	AB2C3D4E13F17 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-320.2
Dipole, Da:	3.27
IP(EA), eV:	-9.38(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-dimethyl-3-nitro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)[C@](CC(=O)N(C)CCC(=O)OC)(C(F)(F)F)O

DOS

IR

Vibrations