Geometry & MOs

Info

ID:	83289
PubChem CID:	49857407
Reduced:	SO4N5C23H27 (1)
Stoich.:	AB4C5D23E27 (1)
Weight, g/mol:	469.178376
ΔH_f, kcal/mol:	-106.78
Dipole, Da:	7.46
IP(EA), eV:	-9.19(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H](C1)CNC(=O)C2=C3C(=NC=C2)N=C(N3)C(=O)C4=CC=CS4

DOS

IR

Vibrations