Geometry & MOs

Info

ID:	125452
PubChem CID:	50924840
Reduced:	O7C22H38 (1)
Stoich.:	A7B22C38 (1)
Weight, g/mol:	467.176644
ΔH_f, kcal/mol:	-275.75
Dipole, Da:	2.66
IP(EA), eV:	-9.06(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCOCCO[C@@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@](O1)(O[C@](CC3)(OO4)C)C)C)C

DOS

IR

Vibrations