Geometry & MOs

Info

ID:	344015
PubChem CID:	127267191
Reduced:	SO2N5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-15.6
Dipole, Da:	10.04
IP(EA), eV:	-7.93(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methoxyisoquinolin-5-yl)thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CS(=NC1=CC=CC=C1NC(=O)NCCNC2=CC=CC=N2)(=O)C

DOS

IR

Vibrations