Geometry & MOs

Info

ID:	43757
PubChem CID:	10321745
Reduced:	SN2O5C24H26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	454.146347
ΔH_f, kcal/mol:	-117.9
Dipole, Da:	8.95
IP(EA), eV:	-8.75(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-N-(5-isoquinolin-6-ylpyridin-3-yl)naphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C)O[C@@H]4CCOC4

DOS

IR

Vibrations