Geometry & MOs

Info

ID:	175661
PubChem CID:	75932479
Reduced:	S2O3N4C22H24 (1)
Stoich.:	A2B3C4D22E24 (1)
Weight, g/mol:	405.229051
ΔH_f, kcal/mol:	-93.61
Dipole, Da:	3.16
IP(EA), eV:	-8.64(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-(8-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCCCC(=O)NC(=O)N)C4=CC=CC=C4

DOS

IR

Vibrations