Geometry & MOs

Info

ID:	244559
PubChem CID:	99364972
Reduced:	ClSO3N4H15C18 (1)
Stoich.:	ABC3D4E15F18 (1)
Weight, g/mol:	398.04912
ΔH_f, kcal/mol:	-19.56
Dipole, Da:	4.33
IP(EA), eV:	-8.48(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-iodo-2-methylphenyl)butanamide

Drug info:

PubChemData

Smile

CN1C=CN=C1SC2=C(C=C(C=N2)C(=O)NC3=CC4=C(C=C3)OCCO4)Cl

DOS

IR

Vibrations