Geometry & MOs

Info

ID:	416163
PubChem CID:	135089171
Reduced:	ClSN2O3C19H21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	369.168856
ΔH_f, kcal/mol:	-84.14
Dipole, Da:	7.05
IP(EA), eV:	-9.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyclohexyl-3-oxopiperazin-1-yl)-5-phenyl-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)N2CCCN(CC2)C(=O)COC3=CC(=CC=C3)Cl

DOS

IR

Vibrations