Geometry & MOs

Info

ID:	125453
PubChem CID:	50924977
Reduced:	NSO5C26H29 (1)
Stoich.:	ABC5D26E29 (1)
Weight, g/mol:	431.21303
ΔH_f, kcal/mol:	-137.65
Dipole, Da:	5.89
IP(EA), eV:	-7.98(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexyl-6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2C3=CC(=C(C=C3CCN2S(=O)(=O)C4=CC=C(C=C4)C)OC)OC

DOS

IR

Vibrations