Geometry & MOs

Info

ID:	207644
PubChem CID:	80432942
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	271.095691
ΔH_f, kcal/mol:	-40.3
Dipole, Da:	5.69
IP(EA), eV:	-9.11(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(isoquinolin-8-ylcarbamoyl)azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)S(=O)(=O)NC2=CC=CC3=C2CNCC3

DOS

IR

Vibrations