Geometry & MOs

Info

ID:	436372
PubChem CID:	135199460
Reduced:	NO4C22H35 (1)
Stoich.:	AB4C22D35 (1)
Weight, g/mol:	490.193771
ΔH_f, kcal/mol:	-219.3
Dipole, Da:	4.16
IP(EA), eV:	-9.52(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-3-(4-fluoro-2-methylphenyl)-4-methylpentan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbothioyl)amino]propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations