Geometry & MOs

Info

ID:	353411
PubChem CID:	127284787
Reduced:	S2N3O3C18H29 (1)
Stoich.:	A2B3C3D18E29 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-116.43
Dipole, Da:	3.15
IP(EA), eV:	-8.74(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCCC2)C3CCCC3

DOS

IR

Vibrations