Geometry & MOs

Info

ID:	133168
PubChem CID:	51486619
Reduced:	N3O5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	433.294057
ΔH_f, kcal/mol:	-132.79
Dipole, Da:	4.82
IP(EA), eV:	-9.41(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-(1-adamantylcarbamoylamino)propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)CNC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations