Geometry & MOs

Info

ID:	436364
PubChem CID:	135199379
Reduced:	NO4C13H17 (2)
Stoich.:	AB4C13D17 (2)
Weight, g/mol:	381.231537
ΔH_f, kcal/mol:	-300.56
Dipole, Da:	4.89
IP(EA), eV:	-8.36(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S)-3-(4-fluoro-2-methylphenyl)-4-methylpentan-2-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C1=C(C=C(C=C1)OC)OC)C(C)C)OC(=O)[C@H](C)NC(=O)C2=NC=CC(=C2OC(=O)C)OC

DOS

IR

Vibrations