Geometry & MOs

Info

ID:	436357
PubChem CID:	135199336
Reduced:	NOH17C26 (1)
Stoich.:	ABC17D26 (1)
Weight, g/mol:	472.220951
ΔH_f, kcal/mol:	78.66
Dipole, Da:	2.75
IP(EA), eV:	-8.73(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-3-(4-methoxyphenyl)-4-methylpentan-2-yl] (2S)-2-[(3-acetyloxy-4-methoxypyridine-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C4=C2C=CC5=C4OC6=CC=CC=C56

DOS

IR

Vibrations