Geometry & MOs

Info

ID:	184474
PubChem CID:	77165459
Reduced:	N2O6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	413.24269
ΔH_f, kcal/mol:	-209.17
Dipole, Da:	4.14
IP(EA), eV:	-8.92(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-cyclohexyl-2-[2-([1,2]oxazolo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NC2CCC(C2)NC(=O)C3=CC(=C(C=C3)O)OC)O

DOS

IR

Vibrations