Geometry & MOs

Info

ID:	64097
PubChem CID:	29196107
Reduced:	SN3O3F4C20H21 (1)
Stoich.:	AB3C3D4E20F21 (1)
Weight, g/mol:	364.124549
ΔH_f, kcal/mol:	-272.42
Dipole, Da:	8.14
IP(EA), eV:	-8.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isoquinolin-2-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations