Geometry & MOs

Info

ID:	436342
PubChem CID:	135199165
Reduced:	N2O5C23H28 (1)
Stoich.:	A2B5C23D28 (1)
Weight, g/mol:	454.246772
ΔH_f, kcal/mol:	-154.89
Dipole, Da:	3.29
IP(EA), eV:	-9.03(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S)-1-cyclopentyl-1-(2,4-dimethylphenyl)propan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C2CC2)[C@H](C)OC(=O)[C@H](C)NC(=O)C3=NC=CC(=C3O)OC

DOS

IR

Vibrations