Geometry & MOs

Info

ID:	38010
PubChem CID:	8026363
Reduced:	S2O3N4C15H18 (1)
Stoich.:	A2B3C4D15E18 (1)
Weight, g/mol:	355.135448
ΔH_f, kcal/mol:	-52.51
Dipole, Da:	7.08
IP(EA), eV:	-8.81(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)CSC3=NN=CN3C

DOS

IR

Vibrations