Geometry & MOs

Info

ID:	347665
PubChem CID:	127272531
Reduced:	SN3O5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	392.176979
ΔH_f, kcal/mol:	-135.31
Dipole, Da:	5.41
IP(EA), eV:	-9.3(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations