Geometry & MOs

Info

ID:	73634
PubChem CID:	48419552
Reduced:	ClO2N3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	410.162391
ΔH_f, kcal/mol:	-39.43
Dipole, Da:	8.23
IP(EA), eV:	-8.65(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2-(4-nitrophenyl)sulfinylacetyl]amino]piperidin-1-yl]-N-propylacetamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CC(=O)NCCNC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations