Geometry & MOs

Info

ID:	336908
PubChem CID:	127255915
Reduced:	ON3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	247.141973
ΔH_f, kcal/mol:	-70.19
Dipole, Da:	3.33
IP(EA), eV:	-8.6(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)[C@@H]1CCN(C1)C2=NC(=NC(=C2)NCC3CC3)N

DOS

IR

Vibrations