Geometry & MOs

Info

ID:	431807
PubChem CID:	135171913
Reduced:	N3O3C24H37 (1)
Stoich.:	A3B3C24D37 (1)
Weight, g/mol:	477.299142
ΔH_f, kcal/mol:	-133.44
Dipole, Da:	4.13
IP(EA), eV:	-8.44(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C[C@H]1COC(=N1)NC2=C(C=CC(=C2)C(C)CC(=O)O)N(CC(C)C)C3CCCCC3

DOS

IR

Vibrations