Geometry & MOs

Info

ID:	150978
PubChem CID:	53790675
Reduced:	ClON2H11C14 (2)
Stoich.:	ABC2D11E14 (2)
Weight, g/mol:	378.020784
ΔH_f, kcal/mol:	30.6
Dipole, Da:	10.36
IP(EA), eV:	-8.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dichloro-N-(2-methyl-1-methylperoxypropan-2-yl)isoquinoline-7-sulfonamide

Drug info:

PubChemData

Smile

COC1=C2C(=C(C=C1)C(=O)NC3=C(C=NC=C3Cl)Cl)N=C(N2)[C@H](CC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations