Geometry & MOs

Info

ID:	238591
PubChem CID:	92763305
Reduced:	ClSN2O2C21H25 (1)
Stoich.:	ABC2D2E21F25 (1)
Weight, g/mol:	598.231516
ΔH_f, kcal/mol:	-30.15
Dipole, Da:	4.95
IP(EA), eV:	-8.07(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(R)-[4-[(S)-(6-hydroxy-1,3-benzodioxol-5-yl)-(4-methoxyphenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methyl]-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@@H]2CC3=CC(=C(C=C3SC4=C2C=C(C=C4)Cl)OC)OC

DOS

IR

Vibrations