Geometry & MOs

Info

ID:	436341
PubChem CID:	135199158
Reduced:	FON5H14C15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	412.199822
ΔH_f, kcal/mol:	38.34
Dipole, Da:	1.63
IP(EA), eV:	-8.76(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-1-cyclopropyl-1-(4-methylphenyl)propan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

C1CC1C2CC(=NN2)NC3=NC(=NC4=C3C=C(C=C4)F)C=O

DOS

IR

Vibrations