Geometry & MOs

Info

ID:	148952
PubChem CID:	53788622
Reduced:	SN4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	469.203528
ΔH_f, kcal/mol:	85.93
Dipole, Da:	2.9
IP(EA), eV:	-9.08(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[2-[[3-(4-methoxyphenyl)-2-methylprop-2-enyl]-methylamino]ethyl]isoquinoline-5-sulfonamide

Drug info:

PubChemData

Smile

CCC(C)(CC)C1=NN=C(C=C1)N=NC(C)CC2=CC=CS2

DOS

IR

Vibrations