Geometry & MOs

Info

ID:	83288
PubChem CID:	49857405
Reduced:	OSN5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	469.178376
ΔH_f, kcal/mol:	35.72
Dipole, Da:	5.04
IP(EA), eV:	-9.29(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-[[[2-(thiophene-2-carbonyl)-1H-imidazo[4,5-b]pyridine-7-carbonyl]amino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1C[C@@H](CNC1)NC(=O)C2=C3C(=NC=C2)N=C(N3)CC4=CC=CS4

DOS

IR

Vibrations