Geometry & MOs

Info

ID:	142791
PubChem CID:	53091364
Reduced:	FSN2O4H23C24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	476.077298
ΔH_f, kcal/mol:	-134.88
Dipole, Da:	3.32
IP(EA), eV:	-9.04(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations