Geometry & MOs

Info

ID:	175329
PubChem CID:	75883646
Reduced:	FSN2O4H21C23 (1)
Stoich.:	ABC2D4E21F23 (1)
Weight, g/mol:	438.215472
ΔH_f, kcal/mol:	-142.08
Dipole, Da:	1.48
IP(EA), eV:	-9.3(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1,3-benzodioxol-5-ylmethyl-(2,3-dimethylcyclohexyl)amino]-2-oxoethoxy]benzamide

Drug info:

PubChemData

Smile

C1C(CN(C1C(=O)OCC2=CSC(=N2)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4F)O

DOS

IR

Vibrations