Geometry & MOs

Info

ID:	336858
PubChem CID:	127255865
Reduced:	NO7C12H21 (1)
Stoich.:	AB7C12D21 (1)
Weight, g/mol:	465.214282
ΔH_f, kcal/mol:	-316.17
Dipole, Da:	3.79
IP(EA), eV:	-9.26(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[4-(2-amino-6-chloropyrimidin-4-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H]([C@@H](O[C@H]2O1)C(=O)O)O)C.C1COCCN1

DOS

IR

Vibrations