Geometry & MOs

Info

ID:	436349
PubChem CID:	135199216
Reduced:	NH35C39 (1)
Stoich.:	AB35C39 (1)
Weight, g/mol:	428.231122
ΔH_f, kcal/mol:	168.1
Dipole, Da:	3.17
IP(EA), eV:	-8.79(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-4-methyl-3-(2-methylphenyl)hexan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

C/C=C\C=C/C(=C)C1=C(C=C2C3=CC=CC=C3N=C(C2=C1)/C(=C/C)/C=C)C(C)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations