Geometry & MOs

Info

ID:	303034
PubChem CID:	124489128
Reduced:	SN2O2F3C12H15 (1)
Stoich.:	AB2C2D3E12F15 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	-217.55
Dipole, Da:	3.44
IP(EA), eV:	-9.34(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-2-(pyridine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)CN

DOS

IR

Vibrations