Geometry & MOs

Info

ID:	125999
PubChem CID:	50948074
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	361.112795
ΔH_f, kcal/mol:	-116.6
Dipole, Da:	6.3
IP(EA), eV:	-9.31(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-1,2-benzothiazole

Drug info:

PubChemData

Smile

CN(C)[C@@H]1C[C@H](N(C1)C(=O)CCCC2=CC=CS2)C(=O)O

DOS

IR

Vibrations