Geometry & MOs

Info

ID:	417056
PubChem CID:	135091234
Reduced:	ClNO5C18H26 (1)
Stoich.:	ABC5D18E26 (1)
Weight, g/mol:	378.1591
ΔH_f, kcal/mol:	-212.59
Dipole, Da:	2.32
IP(EA), eV:	-9.07(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluoro-3-methoxyphenyl)-3-[[4-(hydroxymethyl)cyclohexyl]methylamino]-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=C(C(=CC(=C2)Cl)OC)OC)C(=O)O

DOS

IR

Vibrations