Geometry & MOs

Info

ID:	445022
PubChem CID:	135264279
Reduced:	O11C14H18 (1)
Stoich.:	A11B14C18 (1)
Weight, g/mol:	515.242021
ΔH_f, kcal/mol:	-493.52
Dipole, Da:	3.34
IP(EA), eV:	-10.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(4-tert-butylphenyl)-hydroxymethyl]amino]-3-[4-[5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(CC(C(=O)O)C(=O)O)C(=O)CC(CC(C(=O)O)C(=O)O)C(=O)O

DOS

IR

Vibrations