Geometry & MOs

Info

ID:	358699
PubChem CID:	127296489
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-75.3
Dipole, Da:	8.29
IP(EA), eV:	-9.35(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-[(2-tert-butylcyclohexyl)amino]acetyl]piperazin-1-yl]-2-methyl-1,3-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCCC1NCC2=NS(=O)(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations