Geometry & MOs

Info

ID:	130954
PubChem CID:	51134444
Reduced:	FNS2O4H12C16 (1)
Stoich.:	ABC2D4E12F16 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-113.18
Dipole, Da:	4.22
IP(EA), eV:	-8.65(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-N-(2-methoxy-5-methylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OS(=O)(=O)C2=CSC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations