Geometry & MOs

Info

ID:	422039
PubChem CID:	135117061
Reduced:	SN3O6C15H23 (1)
Stoich.:	AB3C6D15E23 (1)
Weight, g/mol:	392.125133
ΔH_f, kcal/mol:	-224.71
Dipole, Da:	8.76
IP(EA), eV:	-9.19(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-4-[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazole-4-carbonyl]-6-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=C(N=C(C=C2)OC)OC

DOS

IR

Vibrations