Geometry & MOs

Info

ID:	243671
PubChem CID:	99233796
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	480.219512
ΔH_f, kcal/mol:	-107.05
Dipole, Da:	3.81
IP(EA), eV:	-8.73(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations