Geometry & MOs

Info

ID:	46706
PubChem CID:	10526451
Reduced:	N2O6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	426.247835
ΔH_f, kcal/mol:	-215.13
Dipole, Da:	3.7
IP(EA), eV:	-9.78(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(butoxycarbonylamino)-3-[[2-[3-(2-piperidin-4-ylethyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CO[C@H](O[C@H]1NC(=O)C2=CC=CC=C2)CC3OCC(CO3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations