Geometry & MOs

Info

ID:	436365
PubChem CID:	135199380
Reduced:	FNO4C21H32 (1)
Stoich.:	ABC4D21E32 (1)
Weight, g/mol:	444.189651
ΔH_f, kcal/mol:	-269.62
Dipole, Da:	4.47
IP(EA), eV:	-9.33(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-3-(1,3-benzodioxol-5-yl)-4-methylpentan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)[C@@H]([C@@H](C)OC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C

DOS

IR

Vibrations