Geometry & MOs

Info

ID:	348481
PubChem CID:	127273592
Reduced:	SO2N4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	-51.05
Dipole, Da:	5.43
IP(EA), eV:	-8.99(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]-1-(6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CSCC(=O)N2CCCN3C2=CC=N3

DOS

IR

Vibrations