Geometry & MOs

Info

ID:	73535
PubChem CID:	48418066
Reduced:	OS2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	369.162332
ΔH_f, kcal/mol:	28.25
Dipole, Da:	2.93
IP(EA), eV:	-8.6(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NC2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations