Geometry & MOs

Info

ID:	245536
PubChem CID:	99453702
Reduced:	Cl2F2N2O3C22H22 (1)
Stoich.:	A2B2C2D3E22F22 (1)
Weight, g/mol:	386.103335
ΔH_f, kcal/mol:	-215.86
Dipole, Da:	6.12
IP(EA), eV:	-9.46(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)OC(F)F)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations