Geometry & MOs

Info

ID:	355824
PubChem CID:	127290676
Reduced:	SO2N6C15H24 (1)
Stoich.:	AB2C6D15E24 (1)
Weight, g/mol:	292.088164
ΔH_f, kcal/mol:	-17.59
Dipole, Da:	9.19
IP(EA), eV:	-8.42(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)isoquinoline-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)S(=O)(=O)N2CCN(CC2)CC3=CN(N=C3)C

DOS

IR

Vibrations