Geometry & MOs

Info

ID:	155629
PubChem CID:	56366430
Reduced:	IN4O4H15C16 (1)
Stoich.:	AB4C4D15E16 (1)
Weight, g/mol:	436.123898
ΔH_f, kcal/mol:	-20.46
Dipole, Da:	5.9
IP(EA), eV:	-10.26(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCCC(=O)NCC2=CC=NC=C2)I

DOS

IR

Vibrations