Geometry & MOs

Info

ID:	146164
PubChem CID:	53646363
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	771.185512
ΔH_f, kcal/mol:	-129.05
Dipole, Da:	2.79
IP(EA), eV:	-8.79(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[4-(benzenesulfonyl)piperazin-1-yl]-2-[isoquinolin-5-ylsulfonyl(methyl)amino]propyl]phenyl] isoquinoline-5-sulfonate

Drug info:

PubChemData

Smile

CN(C)C(=O)NC1=CC=CC(=C1)CC(=O)OC2CCCC2

DOS

IR

Vibrations