Geometry & MOs

Info

ID:	234559
PubChem CID:	92298692
Reduced:	NOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	313.044046
ΔH_f, kcal/mol:	24.7
Dipole, Da:	3.54
IP(EA), eV:	-8.48(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5R)-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

C1[C@@H]2C[C@@H]([C@H]1C=C2)C(=O)NC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations