Geometry & MOs

Info

ID:	305553
PubChem CID:	124959496
Reduced:	SO2N5C15H21 (1)
Stoich.:	AB2C5D15E21 (1)
Weight, g/mol:	337.124883
ΔH_f, kcal/mol:	-22.27
Dipole, Da:	3.47
IP(EA), eV:	-9.19(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-(isoquinolin-4-ylmethyl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1)C2=NC=C(N=C2)C[C@@H]3CCCN(C3)S(=O)(=O)C

DOS

IR

Vibrations