Geometry & MOs

Info

ID:	342906
PubChem CID:	127266069
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	346.109962
ΔH_f, kcal/mol:	-61.88
Dipole, Da:	5.29
IP(EA), eV:	-8.67(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methoxyisoquinolin-5-yl)-1-propan-2-ylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CNC1=O)NS(=O)(=O)[C@@H]2C[C@H]2C3=CC=CC=C3

DOS

IR

Vibrations