Geometry & MOs

Info

ID:	351271
PubChem CID:	127280159
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	399.238273
ΔH_f, kcal/mol:	-71.17
Dipole, Da:	6.0
IP(EA), eV:	-8.96(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-methyl-2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCN(CC2)CC(=O)N(C)C3CCCCC3

DOS

IR

Vibrations