Geometry & MOs

Info

ID:	436346
PubChem CID:	135199211
Reduced:	NC37H45 (1)
Stoich.:	AB37C45 (1)
Weight, g/mol:	484.257337
ΔH_f, kcal/mol:	103.66
Dipole, Da:	3.7
IP(EA), eV:	-8.56(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-3-(2,4-dimethylphenyl)-4-methylhexan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1CCC(=CC=C1)C\2(C3=C(C=CCC3)C(/C2=C\C(=C\4/C=CC=CC4=NC)\C(C)C)C)C5C=CC=CC5C

DOS

IR

Vibrations