Geometry & MOs

Info

ID:	166069
PubChem CID:	74633591
Reduced:	SN4O4H22C23 (1)
Stoich.:	AB4C4D22E23 (1)
Weight, g/mol:	417.210207
ΔH_f, kcal/mol:	-74.41
Dipole, Da:	3.42
IP(EA), eV:	-8.31(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[1-(3,4-difluorophenyl)ethylcarbamoylamino]piperidin-1-ium-1-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3=CC=CS3)NC(=O)C4=CN=CC=C4

DOS

IR

Vibrations