Geometry & MOs

Info

ID:	278248
PubChem CID:	103834345
Reduced:	ClNSO3C13H20 (1)
Stoich.:	ABCD3E13F20 (1)
Weight, g/mol:	308.119464
ΔH_f, kcal/mol:	-145.39
Dipole, Da:	2.42
IP(EA), eV:	-9.81(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)isoquinoline-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)S(=O)(=O)NCC(CC(C)C)O

DOS

IR

Vibrations