Geometry & MOs

Info

ID:	188293
PubChem CID:	77695393
Reduced:	SN2O3C27H32 (1)
Stoich.:	AB2C3D27E32 (1)
Weight, g/mol:	377.150619
ΔH_f, kcal/mol:	-48.23
Dipole, Da:	10.21
IP(EA), eV:	-9.33(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethyl]-2-methylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)CC2CNC3CCC(CC3C2=O)C#CCC4=CC=CC=C4

DOS

IR

Vibrations